SCHEMBL932932

SCHEMBL932932

O=C1C(=Cc2ccc(C(F)(F)F)cc2)CNCC1=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.70
IKBKB O14920 4/20 0.66
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
PIM1 P11309 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
ACHE P22303 2/20 0.53
FGFR1 P11362 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 1/20 0.48
PTGS2 P35354 1/20 0.48
HSD11B1 P28845 2/20 0.46
RAF1 P04049 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
KDR P35968 1/20 0.45
PRKAG1 P54619 1/20 0.45
MAP2K1 Q02750 1/20 0.45

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
SCHEMBL932931 1.00 CYP1A2 (0.70) CYP1A2IKBKBMEN1KMT2APIM1
Hydrochloric Acid SCHEMBL27967108 0.98 CYP1A2 (0.68) CYP1A2IKBKBMEN1KMT2APIM1
SCHEMBL11827285 0.82 CYP1A2 (1.00) CYP1A2PTGS2HSD11B1MAPK1CYP3A4
SCHEMBL11841447 0.82 CYP1A2 (0.93) CYP1A2HSD11B1MAPK1CYP2C9
SCHEMBL11827276 0.82 CYP1A2 (1.00) CYP1A2PTGS2HSD11B1MAPK1CYP3A4
SCHEMBL17899503 0.82 CYP1A2 (1.00) CYP1A2PTGS2HSD11B1MAPK1CYP3A4
SCHEMBL11841453 0.82 CYP1A2 (0.93) CYP1A2HSD11B1MAPK1CYP2C9
SCHEMBL13720053 0.79 IKBKB (1.00) CYP1A2IKBKBMEN1KMT2APIM1
SCHEMBL28205340 0.79 CYP1A2 (0.45) CYP1A2IKBKBMEN1KMT2APIM1
SCHEMBL31518760 0.78 CYP1A2 (0.64) CYP1A2IKBKBMEN1KMT2APIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102477012-B Preparation and application of curcumin analogs capable of inhibiting activity of 11beta-hydroxysteroid dehydrogenase type II (11beta-HSD2) of human UNIV JINAN 2014-08-13 CN disclosed
US-20120316203-A1 Compositions and Methods for Inhibition of Cancers THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-12-13 US disclosed
EP-2451273-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CANCERS The Ohio State University Research Foundation (US) 2012-05-16 EP disclosed
WO-2011005790-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CANCERS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-01-13 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-20120316203-A1 Compositions and Methods for Inhibition of Cancers HCCS, GPX4, HMOX1 CYP1A2 2155/4885IKBKB 2646/4885MEN1 3347/4885

“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.