SCHEMBL5153261

SCHEMBL5153261

Oc1cc(-c2ccccc2)sn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.44
HSD17B2 P37059 4/20 0.44
BACE1 P56817 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PSMB8 P28062 1/20 0.37
CHRNA7 P36544 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP3 P08254 1/20 0.36
BCL2L1 Q07817 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL9935614 0.83 ESR1 (0.48) HSD17B1HSD17B2MEN1ALDH1A1KMT2A
SCHEMBL9934556 0.78 LMNA (0.54) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL28510819 0.76 RAB9A (0.46) MEN1ALDH1A1KMT2APSMB8MAPT
SCHEMBL8113541 0.74 ADRA1A (0.38) HSD17B1HSD17B2ALDH1A1PSMB8GAA
SCHEMBL2116770 0.74 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ACHRNA7GAA
SCHEMBL28506057 0.71 RAB9A (0.46) MEN1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL28736962 0.69 ALDH1A1 (0.35) HSD17B1HSD17B2ALDH1A1KMT2APSMB8
SCHEMBL25415252 0.67 HPGD (0.55) MEN1ALDH1A1KMT2ACHRNA7GAA
SCHEMBL714891 0.67 ASIC3 (0.38) MEN1ALDH1A1KMT2APSMB8CHRNA7
SCHEMBL17336874 0.67 RAB9A (0.47) MEN1ALDH1A1KMT2AGAAMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
CN-1913865-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-14 CN disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
US-4167575-A BIOCIDES ROHM AND HAAS COMPANY (US) 1979-09-11 US disclosed
US-4053479-A BIOCIDES ROHM AND HAAS COMPANY (US) 1977-10-11 US disclosed
US-3957808-A BIOCIDES ROHM AND HAAS COMPANY (US) 1976-05-18 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 (1 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 HSD17B1 1392/4885HSD17B2 1511/4885BACE1 4119/4885

“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.