SCHEMBL187634

SCHEMBL187634

[CH2]c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
SRD5A2 P31213 2/20 0.65
L3MBTL1 Q9Y468 3/20 0.58
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
MAPK13 O15264 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
MAPK14 Q16539 1/20 0.56
NPC1 O15118 4/20 0.54
HPGD P15428 4/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ELANE P08246 2/20 0.52
TP53 P04637 1/20 0.48

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
SCHEMBL9615865 0.89 SRD5A2 (0.55) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL9066312 0.87 ALDH1A1 (0.93) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL314267 0.87 ALDH1A1 (0.93) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL3709049 0.85 CES2 (0.75) ALDH1A1SRD5A2L3MBTL1ATMRAB9A
Benzophenone SCHEMBL5032137 0.84 ALDH1A1 (0.88) ALDH1A1SRD5A2L3MBTL1ATMTDP1
Benzophenone SCHEMBL3677415 0.84 ALDH1A1 (0.88) ALDH1A1SRD5A2L3MBTL1ATMTDP1
Benzophenone SCHEMBL30536983 0.84 ALDH1A1 (1.00) ALDH1A1SRD5A2L3MBTL1ATMTDP1
Benzophenone SCHEMBL30537001 0.84 ALDH1A1 (1.00) ALDH1A1SRD5A2L3MBTL1ATMTDP1
Benzophenone SCHEMBL28491203 0.84 ALDH1A1 (1.00) ALDH1A1SRD5A2L3MBTL1ATMTDP1
Benzophenone SCHEMBL6061130 0.84 ALDH1A1 (1.00) ALDH1A1SRD5A2L3MBTL1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981280-A Method for producing oligonucleotide compound 日本新药株式会社 2022-08-30 CN claimed
CN-105473591-B EphA4 inhibitors as neuroprotective agents 香港科技大学 2018-02-23 CN claimed
EP-3022206-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS The Hong Kong University of Science and Technology (CN) 2016-05-25 EP claimed
EP-2850111-A1 NOVEL POLYMERIC PHOTOINITIATORS AND PHOTOINITIATOR MONOMERS Coloplast A/S (DK) 2015-03-25 EP claimed
WO-2015007222-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-01-22 WO claimed
CN-104185661-A Lubricious medical device coating with low particulates SURMODICS INC 2014-12-03 CN claimed
US-8669253-B2 Methods for treating glaucoma and macular degeneration DUKE UNIVERSITY (US) 2014-03-11 US claimed
WO-2013170858-A1 NOVEL POLYMERIC PHOTOINITIATORS AND PHOTOINITIATOR MONOMERS COLOPLAST A/S (DK) 2013-11-21 WO claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US claimed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US claimed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP claimed
EP-0641208-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP claimed
CN-1087092-A Novel 7 beta-substituted-4-aza-5 alpha-androstan-3-ones as 5 alpha-reductase inhibitors MERCK & CO INC (US) 1994-05-25 CN claimed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023048-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 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 (1 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ALDH1A1 1874/4885SRD5A2 3840/4885L3MBTL1 3034/4885

“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.