SCHEMBL12012736

SCHEMBL12012736

CC(C)(C)Cc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
MAOB P27338 3/20 0.43
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
RIPK1 Q13546 1/20 0.42
PPARA Q07869 4/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
SOS1 Q07889 1/20 0.40
HSPB1 P04792 1/20 0.40
CACNA1B Q00975 1/20 0.39
APP P05067 1/20 0.39
CASR P41180 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3480017 0.89 ESR1 (0.56) ESR1LTA4HRIPK1PPARGHPGD
SCHEMBL2615503 0.87 ESR1 (0.58) ESR1RIPK1HPGD
SCHEMBL72988 0.87 ESR1 (0.58) ESR1RIPK1HPGD
SCHEMBL17449703 0.84 FFAR4 (0.41) MAOBLTA4HEPHX2RIPK1PPARA
SCHEMBL10223992 0.83 FDFT1 (0.43) MAOBLTA4HEPHX2RIPK1PPARA
SCHEMBL10603646 0.82 ALDH1A1 (0.59) ESR1MAOBHPGD
SCHEMBL17147385 0.82 TEAD4 (0.54) ESR1EPHX2RIPK1HPGD
SCHEMBL22386734 0.82 LTA4H (0.50) ESR1LTA4H
SCHEMBL2600040 0.82 RIPK1 (0.56) ESR1LTA4HRIPK1PPARAPPARG
SCHEMBL18686307 0.82 ESR1 (0.48) ESR1LTA4HRIPK1HPGD

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
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-12-28 US disclosed
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-09-03 US disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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 (3 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 ESR1 514/4885MAOB 1719/4885LTA4H 794/4885
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof SUMO2, SUMO1, SUMO3 ESR1 3920/4885MAOB 4667/4885LTA4H 3323/4885
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF SUMO2, SUMO1, SUMO3 ESR1 3920/4885MAOB 4667/4885LTA4H 3323/4885

“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.