SCHEMBL6832946

SCHEMBL6832946

CCCCCC(=O)c1cc[nH]c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.56
HTR7 P34969 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
STS P08842 4/20 0.44
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL16515826 0.98 HSD17B3 (0.57) HSD17B3HTR7THRATHRBMEN1
SCHEMBL10686844 0.98 HSD17B3 (0.57) HSD17B3HTR7THRATHRBMEN1
SCHEMBL4527437 0.98 HSD17B3 (0.57) HSD17B3HTR7THRATHRBMEN1
SCHEMBL16516266 0.98 HSD17B3 (0.57) HSD17B3HTR7THRATHRBMEN1
SCHEMBL16507742 0.98 HSD17B3 (0.57) HSD17B3HTR7THRATHRBMEN1
SCHEMBL10683502 0.98 HSD17B3 (0.57) HSD17B3HTR7THRATHRBMEN1
SCHEMBL8506922 0.98 HSD17B3 (0.57) HSD17B3HTR7THRATHRBMEN1
SCHEMBL27911645 0.95 HSD17B3 (0.55) HSD17B3HTR7THRATHRBMAPT
Thiophene SCHEMBL28212540 0.88 HSD17B3 (0.48) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL827346 0.87 HSD17B3 (0.52) HSD17B3HTR7ALDH1A1MAPTSTS

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047406-B A kind of preparation method of graphene/polypyrrole methylene third-order nonlinear optical composite material 福州大学 2019-06-07 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
CN-108047407-B A kind of preparation method of carbon nano-tube/poly pyrroles methylene third-order nonlinear optical composite material 福州大学 2019-04-02 CN disclosed
CN-108047407-A A kind of preparation method of carbon nano-tube/poly pyrroles methylene third-order nonlinear optical composite material 福州大学 2018-05-18 CN 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-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
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
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
EP-1419266-A1 DETECTION OF BACTERIAL VAGINOSIS Osmetech PLC (GB) 2004-05-19 EP disclosed
WO-2003016554-A1 DETECTION OF BACTERIAL VAGINOSIS OSMETECH PLC (GB) 2003-02-27 WO 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 4605/4885HTR7 1958/4885THRA 1059/4885
US-10285978-B2 Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio CACNG1, VIPR1, CAP1 HSD17B3 4605/4885HTR7 1958/4885THRA 1059/4885
US-20160200678-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO CACNG1, VIPR1, CAP1 HSD17B3 4605/4885HTR7 1958/4885THRA 1059/4885

“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.