SCHEMBL6443578

SCHEMBL6443578

O=[C]c1cccc2cccc([C]=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 5/20 0.45
TSHR P16473 4/20 0.45
CYP3A4 P08684 4/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
CES2 O00748 1/20 0.40
BCHE P06276 1/20 0.40
CES1 P23141 1/20 0.40
MCL1 Q07820 1/20 0.40
MAPK1 P28482 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TYMS P04818 4/20 0.37
THRB P10828 1/20 0.36
PARP1 P09874 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL9669447 0.84 MEN1 (0.42) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL21178072 0.84 MEN1 (0.37) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL7680857 0.84 CYP1A2 (0.40) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL9099943 0.84 KMT2A (0.45) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL1920365 0.82 HSD17B10 (0.48) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL3107564 0.80 MEN1 (0.41) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL7680358 0.80 GABRA1 (0.47) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL11880947 0.79 HSD17B10 (0.60) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL8880857 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL3745502 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCYP3A4HPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005301-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-02 US claimed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP claimed
WO-2021141807-A1 METHODS FOR PREPARING MIXED POLYAMIDES, POLYIMIDES AND POLYAMIDEIMlDES VIA HYDROTHERMAL POLYMERIZATION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2021-07-15 WO disclosed
US-20140005301-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-02 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed
US-4138553-A 3-Methylene cephalosporanic acid derivatives and process for preparation thereof TEIJIN LIMITED (JP) 1979-02-06 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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885HSD17B10 417/4885TSHR 2585/4885

“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.