SCHEMBL1043115

SCHEMBL1043115

[NH]C(=O)Oc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 3/20 0.61
GAA P10253 2/20 0.61
PGR P06401 1/20 0.61
PTGS1 P23219 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
RAB9A P51151 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP2 P08253 1/20 0.51
FABP3 P05413 5/20 0.50
FABP7 O15540 4/20 0.50
FABP5 Q01469 3/20 0.50
BCHE P06276 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALOX5 P09917 2/20 0.49

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
SCHEMBL37865 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL7181428 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL29901836 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL864919 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL399266 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL27059849 0.81 ALOX5 (0.70) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL9864907 0.80 ALDH1A1 (0.61) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL1395198 0.80 ALDH1A1 (0.61) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL3362842 0.80 ALDH1A1 (0.61) ALDH1A1HSD17B10GAAPGRPTGS1
Alpha-Naphthylacetate SCHEMBL76633 0.80 ALDH1A1 (0.66) ALDH1A1HSD17B10GAAPGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011032159-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT META COMESTICS, LLC (US) 2011-03-17 WO claimed
US-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT LUBIT BEVERLY W 2011-01-06 US claimed
US-20050148662-A1 Dinuclear copper-based and compound and ligand for nucleic acid scission and anticancer treatment JOHNS HOPKINS UNIVERSITY 2005-07-07 US claimed
US-20050090479-A1 Dinuclear cooper-based compounds and ligamd for nucleic acid scission and anticancer treatment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-04-28 US claimed
US-20050026897-A1 Trinuclear copper-based compound and ligand for nucleic acid scission and anticancer treatment UNIVERSITY OF MARYLAND 2005-02-03 US claimed
US-6670363-B1 2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol -1-yl) propyl)-4-(4-(4-(4-chlorophenyl)-1-piperazinyl)phenyl) -3-(2H,4H)-1,2,4-triazolone; opportunistic fungal infections RANBAXY LABORATORIES LIMITED (IN) 2003-12-30 US claimed
WO-2003054145-A2 DINUCLEAR COPPER-BASED COMPOUND AND LIGAND FOR NUCLEIC ACID SCISSION AND ANTICANCER TREATMENT UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2003-07-03 WO claimed
WO-2003052058-A2 DINUCLEAR COPPER-BASED COMPOUND AND LIGAND FOR NUCLEIC ACID SCISSION AND ANTICANCER TREATMENT UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2003-06-26 WO claimed
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP claimed
EP-1278755-A2 AZOLE COMPOUNDS AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS Ranbaxy Laboratories, Limited (IN) 2003-01-29 EP claimed
WO-2002095050-A2 TRINUCLEAR COPPER-BASED COMPOUND AND LIGAND FOR NUCLEIC ACID SCISSION AND ANTICANCER TREATMENT UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2002-11-28 WO claimed
WO-2001066551-A2 AZOLE COMPOUNDS AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS RANBAXY LABORATORIES LIMITED (IN) 2001-09-13 WO claimed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US claimed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP claimed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 WO claimed
US-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 US claimed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US claimed
US-4292238-A Alkylation of benzthiazole-azo-phenylamine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-09-29 US claimed
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
US-3993609-A ACID SENSITIVE AZO PROMOTERS PENNWALT CORPORATION (US) 1976-11-23 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 (4 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-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT PGF, PTGS1, PTGS2 ALDH1A1 498/4885HSD17B10 380/4885GAA 4194/4885
US-20050148662-A1 Dinuclear copper-based and compound and ligand for nucleic acid scission and anticancer treatment DDB1, POLN, DNASE1 ALDH1A1 438/4885HSD17B10 1732/4885GAA 1017/4885
US-20050090479-A1 Dinuclear cooper-based compounds and ligamd for nucleic acid scission and anticancer treatment LIG1, LIG4, LIG3 ALDH1A1 1667/4885HSD17B10 2479/4885GAA 1872/4885
US-20050026897-A1 Trinuclear copper-based compound and ligand for nucleic acid scission and anticancer treatment DDX21, DDB1, RNASE1 ALDH1A1 1305/4885HSD17B10 2762/4885GAA 689/4885

“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.