SCHEMBL399246

SCHEMBL399246

CNc1cccc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RHOA P61586 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MITF O75030 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AKR1C2 P52895 2/20 0.53
HPSE Q9Y251 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CBS P35520 1/20 0.51

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
SCHEMBL29556844 1.00 AKR1C3 (0.56) AKR1C3MEN1KMT2ARHOANPC1
Hydrochloric Acid SCHEMBL4563542 0.98 AKR1C3 (0.54) AKR1C3MEN1KMT2ARHOANPC1
Isophthalic Acid SCHEMBL27617683 0.90 TSHR (0.56) AKR1C3MEN1KMT2ARHOAALDH1A1
SCHEMBL27843166 0.88 KCNK3 (0.54) AKR1C3MEN1KMT2ANPC1RAB9A
SCHEMBL5151380 0.85 NPSR1 (0.59) MEN1KMT2AALDH1A1PKML3MBTL1
SCHEMBL19829331 0.84 MEN1 (0.67) MEN1KMT2APKML3MBTL1HPSE
SCHEMBL9645083 0.84 L3MBTL1 (0.63) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL13187424 0.84 AKR1C3 (0.53) AKR1C3MEN1KMT2ARHOANPC1
SCHEMBL30478066 0.83 ALDH1A1 (0.66) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7768635 0.83 ALDH1A1 (0.66) MEN1KMT2ANPC1RAB9AALDH1A1

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 376 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-116046493-A Application of compound as matrix in mass spectrometry 深圳湾实验室 2023-05-02 CN claimed
CN-115611814-A Compound containing 2-aminoimidazole ring and preparation method and application thereof 烟台新药创制山东省实验室 2023-01-17 CN claimed
CN-107109134-B Use of Chemical Mechanical Polishing (CMP) compositions for polishing substrates comprising cobalt and/or cobalt alloys 巴斯夫欧洲公司 2021-04-13 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-10385236-B2 Use of a chemical mechanical polishing (CMP) composition for polishing of cobalt and / or cobalt alloy comprising substrates BASF SE (DE) 2019-08-20 US claimed
US-20180353607-A1 LIPIDS FOR DELIVERY OF THERAPEUTICS MARINA BIOTECH INC (US) 2018-12-13 US claimed
EP-3237562-B1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT AND/OR COBALT ALLOY COMPRISING SUBSTRATES BASF SE (DE) 2018-09-26 EP claimed
US-20170362464-A1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT AND / OR COBALT ALLOY COMPRISING SUBSTRATES BASF SE (DE) 2017-12-21 US claimed
US-9821067-B2 Lipopeptides for delivery of nucleic acids MARINA BIOTECH, INC. (US) 2017-11-21 US claimed
US-20100240731-A1 LIPOPEPTIDES FOR DELIVERY OF NUCLEIC ACIDS MDRNA, INC. (US) 2010-09-23 US claimed
EP-2197495-A2 LIPOPEPTIDES FOR DELIVERY OF NUCLEIC ACIDS MDRNA, Inc. (US) 2010-06-23 EP claimed
CN-101674853-A Amino acid lipids and uses thereof NASTECH PHARM CO 2010-03-17 CN claimed
EP-2157982-A2 AMINO ACID LIPIDS AND USES THEREOF MDRNA, Inc. (US) 2010-03-03 EP claimed
WO-2009046220-A2 LIPOPEPTIDES FOR DELIVERY OF NUCLEIC ACIDS MDRNA, INC. (US) 2009-04-09 WO claimed
US-20080317839-A1 AMINO ACID LIPIDS AND USES THEREOF NASTECH PHARMACEUTICAL COMPANY INC. (US) 2008-12-25 US claimed
WO-2008137758-A2 AMINO ACID LIPIDS AND USES THEREOF MDRNA, INC. (US) 2008-11-13 WO claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-5989845-A Diagnostic compositions and devices utilizing same MERCURY DIAGNOSTICS, INC. (US) 1999-11-23 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 (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-20080317839-A1 AMINO ACID LIPIDS AND USES THEREOF AADAT, AARS1, ABAT AKR1C3 4626/4885MEN1 2512/4885KMT2A 1649/4885
US-20100240731-A1 LIPOPEPTIDES FOR DELIVERY OF NUCLEIC ACIDS LNPEP, LPXN, SLC27A1 AKR1C3 4663/4885MEN1 2065/4885KMT2A 3714/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL AKR1C3 173/4885MEN1 4075/4885KMT2A 4487/4885
US-20180353607-A1 LIPIDS FOR DELIVERY OF THERAPEUTICS APOB, ABHD16A, LIPA AKR1C3 4461/4885MEN1 2466/4885KMT2A 2263/4885

“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.