SCHEMBL3879232

SCHEMBL3879232

Nc1ccc2sc3ccc(O)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
CA14 Q9ULX7 2/20 0.42
THRB P10828 2/20 0.42
CA3 P07451 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CA6 P23280 1/20 0.42
CASP1 P29466 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA2 P00918 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30340804 0.87 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL3887754 0.87 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL8208672 0.87 HTT (0.43) ALDH1A1MAPTSMN1; SMN2HPGDALOX15
SCHEMBL4850573 0.84 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL3876723 0.79 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL3480951 0.78 MAPT (0.73) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL31238914 0.78 MAPT (0.73) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL24254901 0.77 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL5110289 0.77 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL3812478 0.77 GPR3 (0.61) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885MAPT 420/4885SMN1; SMN2 4772/4885

“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.