SCHEMBL780045

SCHEMBL780045

[O]c1ccccc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.52
HTR2A P28223 1/20 0.50
BCL2 P10415 1/20 0.48
BCL2L1 Q07817 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
CTRC Q99895 3/20 0.42
TSHR P16473 1/20 0.42
ALOX5 P09917 1/20 0.42
NR1H2 P55055 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2186450 0.84 HSPA5 (0.46) CALM1HTR2AL3MBTL1TSHRCYP3A4
SCHEMBL5000663 0.82 POLB (0.44) TSHRCYP3A4CYP2D6CYP2C19HPGD
SCHEMBL972711 0.81 CALM1 (0.69) CALM1HTR2ABCL2BCL2L1L3MBTL1
SCHEMBL5535889 0.78 HTR1A (0.48) HTR2ANR1H2HPGDSMN1; SMN2
SCHEMBL5004420 0.78 LTA4H (0.60) L3MBTL1HPGDSMN1; SMN2
SCHEMBL6548117 0.75 HTR2A (0.56) CALM1HTR2ABCL2BCL2L1L3MBTL1
SCHEMBL22675719 0.75 CALM1 (0.52) CALM1HTR2ABCL2BCL2L1L3MBTL1
SCHEMBL17007958 0.75 HTR2A (0.56) CALM1HTR2ABCL2BCL2L1L3MBTL1
SCHEMBL5536486 0.75 BID (0.50) BCL2L1L3MBTL1SMN1; SMN2
SCHEMBL5541173 0.75 HTR2A (0.48) HTR2ABCL2L1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047707-A Direct cross coupling method of sulfoxide ylide and aryl fluorosulfonate 南京工业大学 2024-05-17 CN claimed
US-20170216248-A1 Enhanced Erythropoiesis and Iron Metabolism FIBROGEN, INC. 2017-08-03 US claimed
EP-2325639-B1 CYSTATIN C ADSORPTION INHIBITOR DENKA SEIKEN KK (JP) 2016-03-30 EP claimed
CN-104877981-A Acid proteinase culture medium HUANG HONGLIN 2015-09-02 CN claimed
CN-102187221-B Cysteine proteinase inhibitor C adsorption inhibitor DENKA SEIKEN CO.,LTD. (JP) 2015-08-12 CN claimed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US claimed
CN-102187221-A Cystatin c adsorption inhibitor DENKA SEIKEN KK 2011-09-14 CN claimed
US-20110143457-A1 CYSTATIN C ADSORPTION INHIBITOR DENKA COMPANY LIMITED (JP) 2011-06-16 US claimed
EP-2325639-A1 CYSTATIN C ADSORPTION INHIBITOR DENKA SEIKEN CO., LTD. (JP) 2011-05-25 EP claimed
EP-1470138-B1 MMP INHIBITORS LEO PHARMA AS (DK) 2006-01-18 EP claimed
US-6521606-B2 2-(4-Chlorophenoxy)-2-oxo-1,3,2-oxazaphosphorinane-3-aceto -hydroxamic acid, for example; antiathritic, -tumor, -metastasis, -proliferative and -ulcer agents; multiple sclerosis; vision defects; skin disorders LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2003-02-18 US claimed
US-20020103166-A1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-08-01 US claimed
WO-2002006293-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA A/S (DK) 2002-01-24 WO claimed
CN-1310200-A Lustrous fireproof butanediol terephthalate GUANGZHOU JINFA S & T DEV CO L (CN) 2001-08-29 CN claimed
EP-0295916-B1 Sizing agents for carbon fibers TAKEMOTO OIL & FAT CO LTD (JP) 1993-12-22 EP claimed
US-4874782-A PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 1989-10-17 US claimed
EP-0209274-A2 Furanone derivatives ELI LILLY AND COMPANY (US) 1987-01-21 EP claimed
EP-0012722-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3-SUBSTITUTED 2-(2',2'-DIHALOVINYL)-CYCLOPROPANE-1-CARBOXYLIC ACIDS AND THEIR DERIVATIVES; 4-(2',2',2'-TRIHALOETHYL)-CYCLOBUTANE-1-SULPHONIC ACID SALTS AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1981-12-09 EP claimed
EP-0012722-A1 Process for the preparation of optically active 3-substituted 2-(2',2'-dihalovinyl)-cyclopropane-1-carboxylic acids and their derivatives; 4-(2',2',2'-trihaloethyl)-cyclobutane-1-sulphonic acid salts and their preparation CIBA-GEIGY AG (CH) 1980-06-25 EP claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20170216248-A1 Enhanced Erythropoiesis and Iron Metabolism EPOR, TFRC, HAMP CALM1 2883/4885HTR2A 4384/4885BCL2 1468/4885
US-20020103166-A1 Matrix metalloproteinase inhibitors MMP1, MMP9, MMP8 CALM1 3547/4885HTR2A 3588/4885BCL2 2540/4885

“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.