SCHEMBL1107604

SCHEMBL1107604

C[C@@H](O)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 2/20 0.50
HCAR2 Q8TDS4 1/20 0.50
ATM Q13315 1/20 0.49
CTSB P07858 1/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
LTA4H P09960 1/20 0.48
LAP3 P28838 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL201855 1.00 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL320610 1.00 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL21688461 0.88 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5400343 0.88 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10165250 0.88 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5400346 0.88 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18651131 0.88 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Valine SCHEMBL28307488 0.87 SLC15A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL24859302 0.86 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL21688727 0.86 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 CN claimed
US-20260109711-A1 MACROCYCLIC SULFONAMIDE MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-04-23 US disclosed
US-20260001891-A1 FUSED RING COMPOUND, CONJUGATE THEREOF AND USE THEREOF KEYMED BIOSCIENCES (CHENGDU) CO., LTD. (CN) 2026-01-01 US disclosed
US-12478696-B2 Gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-11-25 US disclosed
EP-4623936-A1 FUSED RING COMPOUND, CONJUGATE THEREOF AND USE THEREOF Keymed Biosciences (Chengdu) Co., Ltd. (CN) 2025-10-01 EP disclosed
US-20250114485-A1 GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-04-10 US disclosed
US-20240293569-A1 LINKER FOR ANTIBODY-DRUG CONJUGATE PINOTBIO, INC. (KR) 2024-09-05 US disclosed
EP-4420684-A1 DNA TOXIC DIMER COMPOUND AND CONJUGATE THEREOF Systimmune, Inc. (US) 2024-08-28 EP disclosed
US-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2024-08-22 US disclosed
CN-114409562-B CA4 derivative and ligand-drug conjugate thereof 四川百利药业有限责任公司 2024-08-02 CN disclosed
US-20100286427-A1 RETINOID PRODRUG COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2010-11-11 US disclosed
EP-2196468-A1 Exo-and diastereo-selective syntheses of himbacine analogs SCHERING CORPORATION (US) 2010-06-16 EP disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
US-20090281321-A1 EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS SCHERING CORPORATION 2009-11-12 US disclosed
US-7605275-B2 Cyclization of 1-(1-(diphenylaminocarbonyl-vinyl-)ethyl-oxycarbonyl-vinyl-),5-nitro-)cyclohex-1-ene by heating in a solvent to form an trans-(5,6)ring junction and an endoisomer(cis) isomer of 3-(oxo),6-(nitro),9-diphenylamido-perhydro-4,4a-didehydronaphtho(2,3)furan SCHERING CORPORATION (US) 2009-10-20 US disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
US-20080250535-A1 METHOD OF SELECTIVELY PRODUCING MALE OR FEMALE STERILE PLANTS HAWKES TIMOTHY ROBERT 2008-10-09 US disclosed
US-20080085923-A1 Thrombin Receptor Antagonists Based On The Modified Tricyclic Unit Of Himbacine SCHERING CORPORATION 2008-04-10 US disclosed
US-20050150013-A1 Generating sex specific sterility in plants via vector transformation and expression of phytotoxic converting enzymes; hybrid seed production and enhanced crop yields SYNGENTA LIMITED 2005-07-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260109711-A1 MACROCYCLIC SULFONAMIDE MODULATORS HCRTR2, HCRTR1, CNR1 ALDH1A1 1750/4885TDP1 4616/4885MAPK1 2000/4885
US-12478696-B2 Gadolinium chelate compounds for use in magnetic resonance imaging GLRA1, GLRA3, GLRB ALDH1A1 3811/4885TDP1 1272/4885MAPK1 1678/4885
US-20100286427-A1 RETINOID PRODRUG COMPOUND STRA6, RXRA, RXRB ALDH1A1 701/4885TDP1 4429/4885MAPK1 3960/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 2297/4885TDP1 1942/4885MAPK1 1885/4885
US-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE ITK, NFATC1, TNIK ALDH1A1 2433/4885TDP1 1986/4885MAPK1 1163/4885
US-20240293569-A1 LINKER FOR ANTIBODY-DRUG CONJUGATE BCR, IGSF11, STT3B ALDH1A1 1174/4885TDP1 3934/4885MAPK1 3473/4885
US-20080085923-A1 Thrombin Receptor Antagonists Based On The Modified Tricyclic Unit Of Himbacine PTAFR, TBXA2R, BDKRB1 ALDH1A1 3979/4885TDP1 1468/4885MAPK1 1615/4885
US-20250114485-A1 GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING GLRA1, GLRA3, GLRB ALDH1A1 3811/4885TDP1 1272/4885MAPK1 1678/4885
US-20050150013-A1 Generating sex specific sterility in plants via vector transformation and expression of phytotoxic converting enzymes; hybrid seed production and enhanced crop yields DDT, DAO, DDO ALDH1A1 634/4885TDP1 537/4885MAPK1 2521/4885
US-20260001891-A1 FUSED RING COMPOUND, CONJUGATE THEREOF AND USE THEREOF HCCS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1 ALDH1A1 516/4885TDP1 2954/4885MAPK1 3604/4885
US-20090281321-A1 EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS EDNRA, EDNRB, NMBR ALDH1A1 4387/4885TDP1 1793/4885MAPK1 3756/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.