SCHEMBL3874400

SCHEMBL3874400

Nc1ccc2[nH]c3ccc(O)cc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
KIF11 P52732 1/20 0.50
PARP1 P09874 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
CASP6 P55212 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
HTR1D P28221 2/20 0.49
HTR7 P34969 2/20 0.49
HTR3A P46098 2/20 0.49
HTR6 P50406 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL64307 0.87 PARP1 (0.61) KIF11PARP1MEN1KMT2AHSD17B10
SCHEMBL30545874 0.87 TDP1 (0.61) TDP1BCHEACHEMEN1POLB
SCHEMBL29683700 0.87 PARP1 (0.61) KIF11PARP1MEN1KMT2AHSD17B10
SCHEMBL29409549 0.87 PARP1 (0.61) KIF11PARP1MEN1KMT2AHSD17B10
SCHEMBL11810438 0.87 TDP1 (0.61) TDP1BCHEACHEMEN1POLB
SCHEMBL27673148 0.85 FGFR1 (0.50) KIF11PARP1MEN1KMT2ACYP3A4
SCHEMBL22394444 0.84 PARP1 (0.59) KIF11PARP1MEN1KMT2AHSD17B10
SCHEMBL3885306 0.79 KIF11 (0.55) TDP1BCHEACHEKIF11PARP1
SCHEMBL5914553 0.78 KIF11 (0.68) KIF11PARP1CA12CA9CDK4
SCHEMBL30975189 0.78 KIF11 (0.68) KIF11PARP1CA12CA9CDK4

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 TDP1 3181/4885BCHE 1971/4885ACHE 1082/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 TDP1 3181/4885BCHE 1971/4885ACHE 1082/4885

“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.