SCHEMBL3874431

SCHEMBL3874431

OCCNc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
GPR3 P46089 1/20 0.45
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
GLA P06280 1/20 0.39
RAD52 P43351 1/20 0.39
MEN1 O00255 1/20 0.38
MMP14 P50281 1/20 0.38
BLM P54132 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL3876183 0.91 ALDH1A1 (0.44) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL3875015 0.83 ALDH1A1 (0.49) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL3875263 0.80 ALDH1A1 (0.49) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL3884329 0.79 MAPT (0.41) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL17283743 0.77 GPR3 (0.58) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL21698302 0.74 GPR3 (0.54) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL3875392 0.73 NOX4 (0.42) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL22783424 0.73 GPR3 (0.52) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL30961929 0.73 GPR3 (0.52) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL18311795 0.73 PTGIR (0.56) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD

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 8 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
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 ALDH1A1 660/4885RAB9A 4019/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885RAB9A 4019/4885MAPT 420/4885

“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.