SCHEMBL724247

SCHEMBL724247

CCCCCc1cc[nH]c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.46
PTGS2 P35354 4/20 0.45
CYP3A4 P08684 3/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
HSPD1 P10809 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2C P28335 1/20 0.45
HSPE1 P61604 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL27820336 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL152937 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL27839490 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL150002 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL9190829 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL27839562 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL982395 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL147400 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL981785 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A
SCHEMBL27820016 0.98 PTGS2 (0.48) CAPN1PTGS2CYP3A4ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113636968-B Synthetic method of 3-acyl pyrrole compound 南通大学 2023-03-03 CN claimed
CN-113636968-A Synthetic method of 3-acyl pyrrole compound 南通大学 2021-11-12 CN claimed
CN-112382746-B Preparation method of lithium ion battery anode material with heat closing and self-healing functions 湖南省正源储能材料与器件研究所 2021-04-23 CN claimed
CN-112382746-A Preparation method of lithium ion battery anode material with heat closing and self-healing functions 湖南省正源储能材料与器件研究所 2021-02-19 CN claimed
CN-108503572-B Synthetic method of 3-acyl pyrrole compound 河南师范大学 2021-02-02 CN claimed
US-9968587-B2 Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-05-15 US claimed
US-20160200678-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-07-14 US claimed
US-20120208086-A1 PROCESS FOR COATING FINE PARTICLES WITH CONDUCTIVE POLYMERS DEFENSE THREAT REDUCTION AGENCY; DEPT. OF DEFENSE; UNITED STATES GOVERNMENT 2012-08-16 US claimed
EP-1979916-B1 CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS UNIV FLORIDA (US) 2012-03-21 EP claimed
US-20080175992-A1 Process For Coating Fine Particles With Conductive Polymers CHEMETALL GMBH (DE) 2008-07-24 US claimed
US-4904687-A Fungicidal substituted 3-arylpyrroles BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US claimed
EP-0300312-A2 Substituted 3-aryl pyrroles BAYER AG (DE) 1989-01-25 EP claimed
US-4002643-A REARRANGING WITH A STRONG, ANHYDROUS, NON-OXIDIZING ACID MCNEIL LABORATORIES, INC. (US) 1977-01-11 US claimed
JP-1034958-A None JP disclosed
JP-5086024-A None JP disclosed
JP-5086025-A None JP disclosed
EP-0277537-A1 1-Aminomethyl-3-aryl-4-cyano-pyrrole BAYER AG (DE) 1988-08-10 EP disclosed
JP-S63166878-A FULGIDE BASED PHOTOCHROMIC COMPOUND YAMAHA CORP 1988-07-11 JP disclosed
JP-S61275123-A METHOD FOR DISPROPORTIONING HALOGENATED SILANE MITSUI TOATSU CHEM INC 1986-12-05 JP disclosed
US-4002643-A REARRANGING WITH A STRONG, ANHYDROUS, NON-OXIDIZING ACID MCNEIL LABORATORIES, INC. (US) 1977-01-11 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-20160200678-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO CACNG1, VIPR1, CAP1 CAPN1 42/4885PTGS2 1797/4885CYP3A4 4376/4885

“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.