SCHEMBL3237476

SCHEMBL3237476

CC(C)(C)c1ccc(CNCCc2ccc(F)c(C3CC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
ESRRG P62508 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
CCR3 P51677 1/20 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
SCHEMBL3242076 0.88 CA1 (0.50) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL3241151 0.85 CA1 (0.47) CA1CA2ESRRGKDM4EALDH1A1
SCHEMBL4028051 0.83 CA1 (0.55) CA1CA2L3MBTL1ESRRGTRPV1
SCHEMBL3276787 0.79 CA1 (0.51) CA1CA2L3MBTL1ESRRG
SCHEMBL12521156 0.79 CA1 (0.46) CA1CA2L3MBTL1ESRRGKDM4E
SCHEMBL3230624 0.79 CA1 (0.48) CA1CA2KDM4ECCR3
SCHEMBL3243287 0.78 PTPN7 (0.51) CA1CA2L3MBTL1ESRRG
Hydrochloric Acid SCHEMBL4158010 0.78 CYP1A2 (0.51) CA1CA2L3MBTL1
SCHEMBL3241218 0.77 CA1 (0.46) CA1CA2ESRRGCCR3
SCHEMBL3947879 0.76 CA1 (0.51) CA1CA2L3MBTL1ESRRGTRPV1

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
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 CA1 4780/4885CA2 3882/4885L3MBTL1 3123/4885

“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.