SCHEMBL3885262

SCHEMBL3885262

Oc1ccc2[nH]c3ccc(O)c(O)c3c2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.43
▸ SRC P12931 3/20 0.42
▸ PRKACA P17612 3/20 0.42
▸ PRKACG P22612 3/20 0.42
▸ PRKACB P22694 3/20 0.42
▸ IMPDH2 P12268 1/20 0.41
▸ IMPDH1 P20839 1/20 0.41
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA6 P23280 2/20 0.36
▸ 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

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
SCHEMBL3992321 0.82 SRC (0.39) PIM1SRCPRKACAPRKACGPRKACB
SCHEMBL3878246 0.80 IMPDH2 (0.66) IMPDH2IMPDH1CA1CA2CA6
SCHEMBL9349845 0.74 ALDH1A1 (0.57) IMPDH2IMPDH1CA1CA2CA6
SCHEMBL3882678 0.74 IMPDH2 (0.34) IMPDH2IMPDH1ALOX15HSD17B10MMP2
SCHEMBL3878230 0.74 IMPDH2 (0.39) PIM1SRCPRKACAPRKACGPRKACB
Acetone SCHEMBL8602775 0.73 IMPDH2 (0.56) IMPDH2IMPDH1CA1CA2CA6
SCHEMBL338346 0.67 ALDH1A1 (0.57) PIM1CA1CA2CA6CDK2
SCHEMBL29373601 0.67 ALDH1A1 (0.57) PIM1CA1CA2CA6CDK2
SCHEMBL3886120 0.67 IMPDH2 (0.71) IMPDH2IMPDH1CA1CA2CA6
SCHEMBL30392623 0.66 IMPDH2 (0.66) PRKACAPRKACGPRKACBIMPDH2IMPDH1

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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 — — 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 3381/4885SRC 2779/4885PRKACA 1460/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PIM1 3381/4885SRC 2779/4885PRKACA 1460/4885

“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.

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