SCHEMBL3872856

SCHEMBL3872856

Nc1cccc2oc3cccc(N)c3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HPGD P15428 6/20 0.43
CYP3A4 P08684 5/20 0.43
TSHR P16473 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
ALOX15 P16050 2/20 0.42
PIK3CA P42336 1/20 0.41
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NQO1 P15559 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL3884406 0.86 MAOA (0.48) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL19142155 0.86 CD44 (0.48) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL2337790 0.83 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4TSHRHSD17B10
Iodide SCHEMBL8114884 0.81 ALDH1A1 (0.48) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL22137038 0.81 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10ESR1ESR2
SCHEMBL18902983 0.79 HPGD (0.52) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL8553333 0.78 ESR1 (0.41) ALDH1A1HPGDCYP3A4HSD17B10ESR1
SCHEMBL18902888 0.77 HTR2A (0.42) HPGDCYP3A4SMN1; SMN2POLB
SCHEMBL23105530 0.76 ALDH1A1 (0.61) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL22825005 0.76 ALDH1A1 (0.44) ALDH1A1HPGDCYP3A4TSHRHSD17B10

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 9 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
WO-2021120838-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-06-24 WO disclosed
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 660/4885HPGD 290/4885CYP3A4 505/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885HPGD 290/4885CYP3A4 505/4885

“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.