SCHEMBL4419346

SCHEMBL4419346

Oc1cc2[nH]ccc2c2ccoc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
RAD51 Q06609 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNA3 P22001 1/20 0.30
XDH P47989 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
PARP1 P09874 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
PARP15 Q460N3 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4420796 0.79 PARP1 (0.30) ALDH1A1PARP1
SCHEMBL4420591 0.72 TYR (0.39) TYRUSP2GAAALOX15RAD51
SCHEMBL4431164 0.71 ALDH1A1 (0.47) TYRUSP2GAAALOX15RAD51
SCHEMBL4418379 0.71 KCNA3 (0.44) ALOX15KCNA3XDHALDH1A1KDM4E
SCHEMBL4415721 0.70 TYR (0.32) TYRUSP2GAAALOX15RAD51
Hydrochloric Acid SCHEMBL22288598 0.68 TRPM4 (0.47) TYRUSP2GAAALOX15RAD51
SCHEMBL4416677 0.67 KCNA3 (0.32) KCNA3
SCHEMBL4420524 0.66 HTR2C (0.37) PARP1
SCHEMBL4426311 0.66 KCNA3 (0.31) KCNA3ALDH1A1CYP3A4HPGD
SCHEMBL4426175 0.66 KCNA3 (0.31) KCNA3

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-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 TYR 233/4885USP2 2400/4885GAA 3660/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 TYR 233/4885USP2 2400/4885GAA 3660/4885

“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.