SCHEMBL4418773

SCHEMBL4418773

Oc1c2cc[nH]c2c(O)c2cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.40
KMT2A Q03164 1/20 0.39
PARP1 P09874 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
PARP15 Q460N3 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ASH1L Q9NR48 1/20 0.33
KEAP1 Q14145 1/20 0.31
AHR P35869 2/20 0.31
TYR P14679 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4419258 0.88 CCR8 (0.46) CCR8KMT2APARP1KDM4EALDH1A1
SCHEMBL4421338 0.79
SCHEMBL4426175 0.79 KCNA3 (0.31)
SCHEMBL12219421 0.77 CCR8 (0.50) CCR8KMT2APARP1KDM4EALDH1A1
SCHEMBL4420560 0.75
SCHEMBL29916391 0.74 HPGD (0.45) CCR8KMT2APARP1KDM4EALDH1A1
SCHEMBL4419394 0.73 TYR (0.48) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL12219425 0.71 CCR8 (0.52) CCR8KMT2APARP1KDM4EALDH1A1
SCHEMBL26145372 0.70 CSNK2A1 (0.42) CCR8KMT2APARP1ALDH1A1CYP3A4
SCHEMBL17348538 0.70 MCL1 (0.36) PARP1KDM4EALDH1A1LMNACYP1A2

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
US-8669343-B2 Five-ring fused heteroaromatic compounds and conjugated polymers thereof CORNING INCORPORATED (US) 2014-03-11 US disclosed
US-20130178599-A1 FIVE-RING FUSED HETEROAROMATIC COMPOUNDS AND CONJUGATED POLYMERS THEREOF HE MINGQIAN (US) 2013-07-11 US disclosed
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
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 CCR8 4339/4885KMT2A 1797/4885PARP1 1932/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CCR8 4339/4885KMT2A 1797/4885PARP1 1932/4885

“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.