SCHEMBL497784

SCHEMBL497784

CCNc1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.65
ALDH1A1 P00352 2/20 0.54
NR1H4 Q96RI1 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MITF O75030 2/20 0.52
PAX8 Q06710 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
PLEC Q15149 1/20 0.51
RHOA P61586 1/20 0.51
PPARA Q07869 1/20 0.50

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
SCHEMBL8430904 0.93 AKR1C3 (0.58) AKR1C3ALDH1A1NR1H4NPC1RAB9A
Phenol SCHEMBL27737069 0.92 AKR1C3 (0.60) AKR1C3ALDH1A1NR1H4NPC1RAB9A
Isophthalic Acid SCHEMBL27361534 0.91 AKR1C3 (0.58) AKR1C3ALDH1A1NR1H4NPC1RAB9A
SCHEMBL873032 0.86 AKR1C3 (0.61) AKR1C3ALDH1A1NR1H4NPC1RAB9A
SCHEMBL8285571 0.85 KMT2A (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8294937 0.84 MEN1 (0.57) MEN1KMT2A
SCHEMBL25717164 0.83 AKR1C3 (0.72) AKR1C3NPC1RAB9AMITFMEN1
SCHEMBL6325442 0.83 AKR1C3 (0.58) AKR1C3NR1H4SMN1; SMN2GAAHPGD
Isophthalic Acid SCHEMBL27820333 0.82 RXRA (0.51) AKR1C3ALDH1A1NR1H4NPC1RAB9A
SCHEMBL9782100 0.82 AKR1C3 (0.61) AKR1C3ALDH1A1NR1H4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN claimed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
US-10604492-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSTIY OF CALIFORNIA (US) 2020-03-31 US disclosed
CN-106431990-B Preparation method of N- (4-ethoxycarbonylphenyl) -N '-methyl-N' -phenylformamidine 中昊(大连)化工研究设计院有限公司 2018-09-07 CN disclosed
WO-2017196261-A1 JAK AND HDAC DUAL-INHIBITOR COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-11-16 WO disclosed
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2017-11-09 US disclosed
US-9399619-B2 Sulfamoylbenzamide derivatives as antiviral agents against HBV infection BARUCH S. BLUMBERG INSTITUTE (US) 2016-07-26 US disclosed
CN-103703114-B There is the lubricating composition improving tbn retention THE LUBRIZOL CORP. (US) 2016-02-10 CN disclosed
US-9222051-B2 Lubricating composition with improved TBN retention THE LUBRIZOL CORPORATION (US) 2015-12-29 US disclosed
CN-103210069-B Aminobenzoic acid derivatives THE LUBRIZOL CORP. (US) 2015-11-25 CN disclosed
WO-1996004242-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-15 WO disclosed
US-5466268-A Polyalkyl and polyalkenyl aromatic amides and fuel compositions containing the same CHEVRON CHEMICAL COMPANY (US) 1995-11-14 US disclosed
US-5407452-A Antideposit agents CHEVRON CHEMICAL COMPANY (US) 1995-04-18 US disclosed
US-5380345-A Fuel additives CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1995-01-10 US disclosed
US-5276148-A Phenylazobenzenes or naphthylazobenzenes having a plurality of fiber-reactive groups BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed
US-4528136-A Process for preparing 2-[bis(aryl)methyl]benzoic acids THE HILTON-DAVIS CHEMICAL CO. (US) 1985-07-09 US disclosed
US-4399291-A CONDENSATION OF A BENZALDEHYDE, AN ANILINE, AN AMINOBENZOIC ACID; OXIDATION STERLING DRUG INC. (US) 1983-08-16 US disclosed
EP-0082394-A2 A process for the production of aminophthalides and amino benzoic acids STERLING DRUG INC. (US) 1983-06-29 EP 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 (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-10604492-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 AKR1C3 1984/4885ALDH1A1 2135/4885NR1H4 186/4885
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 AKR1C3 2414/4885ALDH1A1 2034/4885NR1H4 65/4885

“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.