SCHEMBL4424880

SCHEMBL4424880

Oc1cc2cc[nH]c2c2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
RAD51 Q06609 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR8 P51685 1/20 0.37
KMT2A Q03164 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
PIM3 Q86V86 1/20 0.35
ASH1L Q9NR48 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
PARP1 P09874 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL28621811 0.79 TRPM4 (0.52) TYRGAAKMT2ATRPM4KDM4E
SCHEMBL9316145 0.76 GAA (0.39) TYRUSP2GAAALOX15RAD51
SCHEMBL4419407 0.75 PIM3 (0.40) TYRUSP2GAAALOX15RAD51
SCHEMBL4426876 0.74 CCR8 (0.37) CCR8KMT2APIM3PARP1IKBKB
SCHEMBL29916391 0.74 HPGD (0.45) TYRALOX15CCR8KMT2AASH1L
SCHEMBL4415721 0.74 TYR (0.32) TYRUSP2GAAALOX15RAD51
SCHEMBL4421162 0.74 CSNK2A1 (0.34) TYRUSP2GAAALOX15RAD51
SCHEMBL1741436 0.72 TNF (0.38) TYRUSP2GAAALOX15RAD51
SCHEMBL8649018 0.72 DAO (0.37) TYRUSP2GAAALOX15RAD51
SCHEMBL8620419 0.71 USP2 (0.48) TYRUSP2GAAALOX15RAD51

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 7 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
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.