SCHEMBL4527437

SCHEMBL4527437

CCCCCCCCCCCC(=O)c1cc[nH]c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.57
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
STS P08842 4/20 0.47
HTR7 P34969 1/20 0.46
S1PR5 Q9H228 1/20 0.45
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44

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
SCHEMBL16516266 1.00 HSD17B3 (0.57) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL16515826 1.00 HSD17B3 (0.57) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL10686844 1.00 HSD17B3 (0.57) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL8506922 1.00 HSD17B3 (0.57) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL10683502 1.00 HSD17B3 (0.57) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL16507742 1.00 HSD17B3 (0.57) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL6832946 0.98 HSD17B3 (0.56) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL27911645 0.93 HSD17B3 (0.55) HSD17B3MAPTHTTSTSHTR7
Thiophene SCHEMBL28212540 0.90 HSD17B3 (0.48) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL827346 0.85 HSD17B3 (0.52) HSD17B3ALDH1A1MAPTSTSHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090014920-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2009-01-15 US claimed
WO-2006001719-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2006-01-05 WO claimed
EP-0253595-A2 Novel pyrrole monomers and polymers prepared therefrom COOKSON GROUP plc (GB) 1988-01-20 EP claimed
CN-116837631-A Photo-thermal evaporation and photocatalysis synergistic difunctional honeycomb fabric material and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-10-03 CN disclosed
US-10285978-B2 Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-05-14 US disclosed
US-10285978-B2 Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-05-14 US disclosed
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 disclosed
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 disclosed
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 disclosed
US-20180078526-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-03-22 US disclosed
US-20180078526-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-03-22 US disclosed
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 disclosed
WO-2015026796-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-02-26 WO disclosed
WO-2015026796-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-02-26 WO disclosed
US-20090014920-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2009-01-15 US disclosed
WO-2006001719-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2006-01-05 WO disclosed
EP-0332704-B1 PROCESS FOR PRODUCING CONDUCTIVE POLYMER FILM NIPPON SODA CO (JP) 1994-12-21 EP disclosed
US-5306443-A Dissolving monomer with metal containing oxidizing agent in sufficient solvent to prevent polymerization; removal of solvent NIPPON SODA CO., LTD. (JP) 1994-04-26 US disclosed
EP-0332704-A1 PROCESS FOR PRODUCING CONDUCTIVE POLYMER FILM NIPPON SODA CO., LTD. (JP) 1989-09-20 EP disclosed
EP-0253595-A2 Novel pyrrole monomers and polymers prepared therefrom COOKSON GROUP plc (GB) 1988-01-20 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 (3 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-20180078526-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO CACNG1, VIPR1, CAP1 HSD17B3 4605/4885MEN1 4273/4885ALDH1A1 2444/4885
US-10285978-B2 Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio CACNG1, VIPR1, CAP1 HSD17B3 4605/4885MEN1 4273/4885ALDH1A1 2444/4885
US-20160200678-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO CACNG1, VIPR1, CAP1 HSD17B3 4605/4885MEN1 4273/4885ALDH1A1 2444/4885

“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.