SCHEMBL4415644

SCHEMBL4415644

Nc1c2ccoc2cc2occc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2A6 P11509 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.39
ADORA3 P0DMS8 3/20 0.39
MAOA P21397 3/20 0.39
CYP1A1 P04798 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
KCNA2 P16389 1/20 0.39
TSHR P16473 1/20 0.39
CYP1B1 Q16678 1/20 0.39
FTO Q9C0B1 2/20 0.38

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
SCHEMBL30578892 0.81 KMT2A (0.43) CYP3A4ALDH1A1HPGDMAPTKDM4E
SCHEMBL4420689 0.78 ALDH1A1 (0.30) CYP3A4ALDH1A1CYP2A6HPGDMAPT
SCHEMBL4426267 0.78 DYRK1A (0.37) CYP3A4ALDH1A1CYP2A6HPGDMAPT
SCHEMBL30137785 0.78 DYRK1A (0.37) CYP3A4ALDH1A1CYP2A6HPGDMAPT
SCHEMBL4420837 0.77 ALDH1A1 (0.34) CYP3A4ALDH1A1CYP2A6HPGDMAPT
SCHEMBL10449393 0.75 MAOA (0.42) CYP3A4ALDH1A1HPGDMAPTKDM4E
SCHEMBL4421214 0.74 CYP3A4 (0.68) CYP3A4ALDH1A1CYP2A6HPGDMAPT
SCHEMBL7066112 0.74 GPR35 (0.47) CYP3A4ALDH1A1CYP2A6HPGDMAPT
SCHEMBL2268053 0.73 NQO1 (0.36) CYP3A4ALDH1A1CYP2A6HPGDMAPT
SCHEMBL6478330 0.72 DYRK1A (0.38) CYP3A4MAOATSHRFTODYRK1A

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 CYP3A4 381/4885ALDH1A1 657/4885CYP2A6 405/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP3A4 381/4885ALDH1A1 657/4885CYP2A6 405/4885

“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.