SCHEMBL3882633

SCHEMBL3882633

Oc1ccc2sc3ccc(O)c(O)c3c2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
CDK2 P24941 2/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 2/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ADAMTS4 O75173 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
FYN P06241 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
HPGD P15428 1/20 0.36
MMP8 P22894 1/20 0.36
CA6 P23280 1/20 0.36
MMP12 P39900 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADAMTS5 Q9UNA0 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
SCHEMBL2932661 0.80 GPR3 (0.50) LMNAALOX15ALDH1A1HPGDTDP1
SCHEMBL29945065 0.80 GPR3 (0.50) LMNAALOX15ALDH1A1HPGDTDP1
Dibenzothiophene SCHEMBL7722649 0.79 GPR3 (0.54) LMNAALOX15ALDH1A1HPGDTDP1
SCHEMBL9785865 0.74 MAOA (0.64) CDK2LMNAALOX15RECQLALDH1A1
SCHEMBL3873242 0.74 CYP3A4 (0.32) ALOX15HSD17B10MMP2
SCHEMBL3873255 0.74 PIM1 (0.33) PIM1LMNAALOX15HSD17B10ALDH1A1
SCHEMBL338346 0.67 ALDH1A1 (0.57) PIM1CDK2LMNAALOX15RECQL
SCHEMBL29373601 0.67 ALDH1A1 (0.57) PIM1CDK2LMNAALOX15RECQL
SCHEMBL3875204 0.67 HPGD (0.52) PIM1CDK2LMNAALOX15RECQL
Hydrochloric Acid SCHEMBL21799214 0.64 ALDH1A1 (0.53) PIM1CDK2LMNAALOX15RECQL

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 PIM1 3381/4885CDK2 1099/4885LMNA 448/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PIM1 3381/4885CDK2 1099/4885LMNA 448/4885

“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.