SCHEMBL1316487

SCHEMBL1316487

[C]1=Cc2cccc3cccc(c23)[CH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 4/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
MCL1 Q07820 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL1005829 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL26037 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL3099744 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL8872842 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL29575794 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL2865 0.67 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL23300518 0.66 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP1A2
Bromide SCHEMBL8065180 0.66 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL10699512 0.66 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP1A2
Bromide SCHEMBL8065175 0.66 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10117860-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2018-11-06 US claimed
EP-3152201-B1 AMINOESTER DERIVATIVES CHIESI FARM SPA (IT) 2018-08-29 EP claimed
US-20170340616-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 US claimed
US-20170226422-A1 POLYMERISABLE MESOGENIC COMPOUND, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-08-10 US claimed
EP-3177695-A1 POLYMERISABLE MESOGENIC COMPOUND, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2017-06-14 EP claimed
EP-3152201-A1 AMINOESTER DERIVATIVES Chiesi Farmaceutici S.p.A. (IT) 2017-04-12 EP claimed
WO-2015185649-A9 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2017-01-05 WO claimed
WO-2016020040-A1 POLYMERISABLE MESOGENIC COMPOUND, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-02-11 WO claimed
US-20150352091-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 US claimed
WO-2015185649-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 WO claimed
US-20110267574-A1 LIQUID CRYSTAL DISPLAY DEVICE AND COMPOSITION FOR FORMING LIQUID CRYSTAL LAYER SHARP KABUSHIKI KAISHA (JP) 2011-11-03 US claimed
US-6946207-B2 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2005-09-20 US claimed
US-20020135292-A1 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2002-09-26 US claimed
US-5312707-A Compositions for images RICOH COMPANY, LTD. (JP) 1994-05-17 US claimed
US-10472381-B2 Sialic acid derivatives REINHARD BROSSMER (DE) 2019-11-12 US disclosed
EP-3083617-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-09-11 EP disclosed
EP-3157920-B1 INDOLIZINE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-08-07 EP disclosed
US-5516577-A Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 1996-05-14 US disclosed
US-5312707-A Compositions for images RICOH COMPANY, LTD. (JP) 1994-05-17 US disclosed
EP-0569827-A2 Organic electroluminescence device IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-11-18 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 (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-10472381-B2 Sialic acid derivatives NEU1, NEU2, NEU3 ALDH1A1 127/4885HSD17B10 868/4885TSHR 693/4885
US-20170340616-A1 AMINOESTER DERIVATIVES PDE4A, PDE4B, PDE3A ALDH1A1 340/4885HSD17B10 437/4885TSHR 1080/4885
US-20150352091-A1 AMINOESTER DERIVATIVES PDE4A, PDE4B, PDE3A ALDH1A1 340/4885HSD17B10 437/4885TSHR 1080/4885
US-10117860-B2 Aminoester derivatives PDE4A, PDE4B, PDE3A ALDH1A1 340/4885HSD17B10 437/4885TSHR 1080/4885

“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.