SCHEMBL4416705

SCHEMBL4416705

Cc1cc2c(ccc3occc32)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.51
CYP1A1 P04798 9/20 0.44
HPGD P15428 3/20 0.44
CYP3A4 P08684 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
MAPK1 P28482 2/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 9/20 0.43
CYP1B1 Q16678 8/20 0.43
EGFR P00533 2/20 0.39
KDR P35968 2/20 0.39
PDGFRB P09619 1/20 0.39
MAOA P21397 2/20 0.39
NFKB1 P19838 1/20 0.39
MAOB P27338 1/20 0.39
PDGFRA P16234 1/20 0.36
ACHE P22303 1/20 0.36
KCNA3 P22001 1/20 0.35
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 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
SCHEMBL17427932 0.96 PAX8 (0.49) PAX8CYP1A1HPGDCYP3A4ADORA3
SCHEMBL12278145 0.96 PAX8 (0.49) PAX8CYP1A1HPGDCYP3A4ADORA3
SCHEMBL4120120 0.84 CYP1A2 (0.53) CYP1A1HPGDCYP3A4MAPK1CYP1A2
SCHEMBL18810297 0.80 CYP1A2 (0.55) CYP1A1HPGDCYP3A4MAPK1CYP1A2
SCHEMBL12278160 0.80 CYP1A2 (0.55) CYP1A1HPGDCYP3A4MAPK1CYP1A2
SCHEMBL15851182 0.80 CYP1A2 (0.55) CYP1A1HPGDCYP3A4MAPK1CYP1A2
SCHEMBL4429415 0.76 PAX8 (0.48) PAX8CYP1A1HPGDCYP3A4CYP1A2
SCHEMBL4424968 0.75 PAX8 (0.51) PAX8CYP1A1HPGDCYP3A4MAPK1
SCHEMBL4424666 0.75 PAX8 (0.51) PAX8CYP1A1HPGDCYP3A4CYP1A2
SCHEMBL12278983 0.73 PAX8 (0.46) PAX8CYP1A1HPGDCYP3A4ADORA3

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-3848363-B1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC (CN) 2023-07-19 EP disclosed
EP-3848363-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND Medshine Discovery Inc. (CN) 2021-07-14 EP 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 PAX8 2376/4885CYP1A1 292/4885HPGD 242/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 PAX8 2376/4885CYP1A1 292/4885HPGD 242/4885

“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.