SCHEMBL3877382

SCHEMBL3877382

Oc1ccc2c(sc3ccccc32)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
GPR3 P46089 1/20 0.50
PARP14 Q460N5 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL21624254 0.85 ALDH1A1 (0.53) ALOX5GPR3MAPTALDH1A1RAB9A
SCHEMBL30017926 0.85 ALDH1A1 (0.53) ALOX5GPR3MAPTALDH1A1RAB9A
SCHEMBL22232939 0.82 ALOX5 (0.53) ALOX5GPR3PARP14MAPTALDH1A1
SCHEMBL20441891 0.81 PTPN1 (0.47) ALOX5GPR3PARP14MAPTALDH1A1
SCHEMBL3876656 0.81 ALOX5 (0.51) ALOX5GPR3PARP14MAPTALDH1A1
SCHEMBL30594903 0.81 ALOX5 (0.51) ALOX5GPR3PARP14MAPTALDH1A1
SCHEMBL3886328 0.81 MAPT (0.47) ALOX5GPR3PARP14MAPTALDH1A1
SCHEMBL19443961 0.81 ALOX5 (0.51) ALOX5GPR3PARP14MAPTALDH1A1
SCHEMBL15497424 0.80 GPR3 (0.68) ALOX5GPR3PARP14MAPTALDH1A1
SCHEMBL3885289 0.80 ATP1A1 (0.38) ALOX5PTPN22MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
EP-2816072-B1 COMPOSITE POLYAMIDE PARTICLES AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES (JP) 2016-11-30 EP disclosed
US-9416233-B2 Composite polyamide fine particles and method of producing same TORAY INDUSTRIES, INC. (JP) 2016-08-16 US disclosed
US-20150031834-A1 COMPOSITE POLYAMIDE FINE PARTICLES AND METHOD OF PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2015-01-29 US disclosed
EP-2816072-A1 COMPOSITE POLYAMIDE PARTICLES AND METHOD FOR PRODUCING SAME Toray Industries, Inc. (JP) 2014-12-24 EP disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALOX5 1116/4885GPR3 4420/4885PARP14 2647/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALOX5 1116/4885GPR3 4420/4885PARP14 2647/4885

“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.