SCHEMBL3876183

SCHEMBL3876183

OCCCNc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR3 P46089 1/20 0.42
RAD52 P43351 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH3 Q9ULD8 2/20 0.38
LMNA P02545 1/20 0.38
RCE1 Q9Y256 1/20 0.38
DHODH Q02127 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL3874431 0.91 ALDH1A1 (0.46) ALDH1A1MAPTHPGDCRHBPCRHR2
SCHEMBL3875263 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDCRHBPCRHR2
SCHEMBL3884329 0.77 MAPT (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17283743 0.75 GPR3 (0.58) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3875015 0.74 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3875220 0.73 ALDH1A1 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3881185 0.73 ALDH1A1 (0.52) ALDH1A1HPGDRAB9AGPR3POLB
SCHEMBL21698302 0.72 GPR3 (0.54) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20932939 0.71 SMN1; SMN2 (0.43) ALDH1A1CRHBPCRHR2RAB9ASMN1; SMN2
SCHEMBL3873412 0.71 ATM (0.52) ALDH1A1MAPTHPGDRAB9AGPR3

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 6 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
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 660/4885MAPT 420/4885HPGD 290/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885MAPT 420/4885HPGD 290/4885

“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.