SCHEMBL5040150

SCHEMBL5040150

COc1cc2c(ccn2C)n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
TUBB4A P04350 4/20 0.36
TUBB P07437 4/20 0.36
TUBA3C P0DPH7 4/20 0.36
TUBA1B P68363 4/20 0.36
TUBA4A P68366 4/20 0.36
TUBB4B P68371 4/20 0.36
TUBB3 Q13509 4/20 0.36
TUBB2A Q13885 4/20 0.36
TUBB8 Q3ZCM7 4/20 0.36
TUBA3E Q6PEY2 4/20 0.36
TUBA1A Q71U36 4/20 0.36
TUBA1C Q9BQE3 4/20 0.36
TUBB6 Q9BUF5 4/20 0.36
TUBB2B Q9BVA1 4/20 0.36
TUBB1 Q9H4B7 4/20 0.36
PRKCI P41743 1/20 0.34
CYP2A6 P11509 2/20 0.32
PIK3CB P42338 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL5046506 0.71 KDM4E (0.47) KDM4EPRKCICYP2A6PIK3CBALDH1A1
SCHEMBL5039906 0.70 KDM4E (0.50) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5039952 0.68 KDM1A (0.41) KDM4ECYP2A6ALDH1A1MAPTHPGD
SCHEMBL5041694 0.68 LPO (0.44) KDM4EPRKCICYP2A6PIK3CBALDH1A1
SCHEMBL30193576 0.67 KMT2A (0.50) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL24188608 0.67 KDM4E (0.43) KDM4EPRKCICYP2A6PIK3CBALDH1A1
SCHEMBL5036172 0.65 KDM4E (0.46) KDM4EPRKCICYP2A6PIK3CBMAPT
Dimethylamine SCHEMBL11499079 0.63 KMT2A (0.46) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL5036403 0.63 KDM4E (0.44) KDM4EPRKCIALDH1A1MAPTHPGD
SCHEMBL5083180 0.62 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B KDM4E 1003/4885TUBB4A 31/4885TUBB 34/4885

“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.