SCHEMBL4432874

SCHEMBL4432874

CCC(O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 2/20 0.44
AOC3 Q16853 1/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
NPBWR1 P48145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL9380682 0.92 LMNA (0.46) TSHRALDH1A1TP53TRPA1LMNA
SCHEMBL4448249 0.84 GAA (0.40) TSHRALDH1A1TP53TRPA1LMNA
SCHEMBL7050937 0.84 TSHR (0.48) TSHRALDH1A1TP53LMNAAOC3
SCHEMBL465333 0.83 ALDH1A1 (0.46) TSHRALDH1A1TP53TRPA1LMNA
SCHEMBL9475521 0.82 ADRA2B (0.53) TSHRALDH1A1TRPA1LMNAAOC3
SCHEMBL8699772 0.82 ADRA2B (0.53) TSHRALDH1A1TRPA1LMNAAOC3
Hydrochloric Acid SCHEMBL27998892 0.80 ADRA2B (0.52) TSHRALDH1A1TRPA1LMNAAOC3
SCHEMBL9544402 0.80 HTT (0.43) ALDH1A1LMNAAOC3KMT2AMEN1
SCHEMBL5689900 0.80 TSHR (0.54) TSHRALDH1A1AOC3KMT2AGAA
SCHEMBL3296787 0.79 TRPA1 (0.46) TSHRALDH1A1TP53TRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260060900-A1 DENTAL COMPOSITE RESIN KIT SHOFU INC. (JP) 2026-03-05 US disclosed
CN-118355096-A Water-soluble metal processing oil 出光兴产株式会社 2024-07-16 CN disclosed
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability SHOFU INC. (JP) 2024-06-18 US disclosed
EP-3708561-B1 POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREOF HANMI FINE CHEMICAL CO LTD (KR) 2024-05-08 EP disclosed
US-20230357663-A1 WATER-SOLUBLE METALWORKING FLUID IDEMITSU KOSAN CO.,LTD. (JP) 2023-11-09 US disclosed
US-20230348810-A1 WATER-SOLUBLE METALWORKING FLUID IDEMITSU KOSAN CO.,LTD. (JP) 2023-11-02 US disclosed
WO-2023162707-A1 WATER-SOLUBLE LUBRICANT 出光興産株式会社 2023-08-31 WO disclosed
WO-2023106341-A1 WATER-SOLUBLE METALWORKING FLUID 出光興産株式会社 2023-06-15 WO disclosed
CN-111372911-B Polyethylene glycol derivative and preparation method thereof 韩美精密化学株式会社 2023-06-13 CN disclosed
CN-115989312-A Water-soluble metal working oil 出光兴产株式会社 2023-04-18 CN disclosed
US-11168180-B2 Polyethylene glycol derivative and preparation method thereof HANMI FINE CHEMICAL CO., LTD. 2021-11-09 US disclosed
EP-3708561-A2 POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREOF Hanmi Fine Chemical Co., Ltd. (KR) 2020-09-16 EP disclosed
US-20200231749-A1 Polyethylene Glycol Derivative And Preparation Method Thereof HANMI FINE CHEMICAL CO., LTD. (KR) 2020-07-23 US disclosed
CN-111372911-A Polyethylene glycol derivative and preparation method thereof 韩美精密化学株式会社 2020-07-03 CN disclosed
EP-2044141-A1 PROCESS FOR PREPARING LINEAR, METHYLATED POLYGLYCEROL DERIVATIVES AND THEIR USE FOR FUNCTIONALIZING SURFACES Freie Universität Berlin (DE) 2009-04-08 EP disclosed
US-20080269284-A1 Compounds and Methods for Treating Dyslipidemia ELI LILLY AND COMPANY (US) 2008-10-30 US disclosed
WO-2007141248-A1 PROCESS FOR PREPARING LINEAR, METHYLATED POLYGLYCEROL DERIVATIVES AND THEIR USE FOR FUNCTIONALIZING SURFACES FREIE UNIVERSITÄT BERLIN (DE) 2007-12-13 WO disclosed
EP-0400435-B1 Carbonic half-ester of betaine structure BASF AG (DE) 1994-04-13 EP disclosed
EP-0400435-A2 Carbonic half-ester of betaine structure BASF Aktiengesellschaft (DE) 1990-12-05 EP disclosed
US-4120957-A ANTHELMINTICS ROHM AND HAAS COMPANY (US) 1978-10-17 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 (5 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-20200231749-A1 Polyethylene Glycol Derivative And Preparation Method Thereof SI, RPS27A, PGF TSHR 4007/4885ALDH1A1 1677/4885TP53 2874/4885
US-20260060900-A1 DENTAL COMPOSITE RESIN KIT BOLA2; BOLA2B, LBR, COL2A1 TSHR 3276/4885ALDH1A1 314/4885TP53 3461/4885
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability H1-0, CCND1, CCNT1 TSHR 3277/4885ALDH1A1 148/4885TP53 1559/4885
US-11168180-B2 Polyethylene glycol derivative and preparation method thereof SI, RPS27A, PGF TSHR 4007/4885ALDH1A1 1677/4885TP53 2874/4885
US-20080269284-A1 Compounds and Methods for Treating Dyslipidemia APOB, PCSK9, LIPC TSHR 487/4885ALDH1A1 1525/4885TP53 4001/4885

“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.