SCHEMBL5493426

SCHEMBL5493426

COc1ccn(C)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 1/20 0.46
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA4 P22748 1/20 0.38
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 3/20 0.36

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
SCHEMBL20844012 0.75
SCHEMBL5173347 0.73
SCHEMBL20844237 0.73
SCHEMBL5176068 0.73
SCHEMBL5488530 0.73
SCHEMBL26141120 0.70 LMNA (0.42) LMNAMAPTCYP2C9CA1CA2
SCHEMBL28278087 0.70 LMNA (0.42) LMNAMAPTCYP2C9CA1CA2
SCHEMBL21718524 0.70 LMNA (0.42) LMNAMAPTCYP2C9CA1CA2
SCHEMBL22031398 0.69 MAPT (0.53) LMNAMAPTCYP2C9CA1CA2
SCHEMBL21978998 0.67 LMNA (0.56) LMNAMAPTCYP2C9TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 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 LMNA 1256/4885MAPT 290/4885CYP2C9 1023/4885

“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.