SCHEMBL2909442

SCHEMBL2909442

OB(O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.59
CA2 P00918 1/20 0.59
PTGS1 P23219 1/20 0.40
CES2 O00748 1/20 0.39
MGLL Q99685 3/20 0.38
RPS6KA3 P51812 1/20 0.38
JAK3 P52333 1/20 0.38
AHR P35869 1/20 0.36
NQO2 P16083 1/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL2909444 1.00 CA1 (0.59) CA1CA2PTGS1CES2MGLL
SCHEMBL2352948 0.81 CA1 (0.57) CA1CA2MGLL
SCHEMBL3317126 0.81 CA1 (0.57) CA1CA2MGLL
SCHEMBL542321 0.79 CA1 (0.89) CA1CA2PTGS1MGLLAHR
SCHEMBL38660141 0.79 CA1 (0.45) CA1CA2PTGS1MGLLCYP1A2
SCHEMBL542320 0.79 CA1 (0.89) CA1CA2PTGS1MGLLAHR
SCHEMBL28879159 0.75 PTGS1 (0.41) CA1CA2PTGS1CES2MGLL
SCHEMBL28879158 0.75 PTGS1 (0.41) CA1CA2PTGS1CES2MGLL
SCHEMBL16734811 0.73 CA1 (0.36) CA1CA2PTGS1RPS6KA3JAK3
SCHEMBL31416502 0.73 CA1 (0.53) CA1CA2PTGS1MGLLNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229437-A A kind of modified PVC CABLE MATERIALS and preparation method thereof 周宁东 2019-09-13 CN claimed
US-20250282735-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2025-09-11 US disclosed
EP-4514780-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR Dong-A ST Co., Ltd. (KR) 2025-03-05 EP disclosed
WO-2023209651-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2023-11-02 WO disclosed
CN-110229437-A A kind of modified PVC CABLE MATERIALS and preparation method thereof 周宁东 2019-09-13 CN disclosed
CN-110229437-A A kind of modified PVC CABLE MATERIALS and preparation method thereof 周宁东 2019-09-13 CN disclosed
EP-2215043-B1 CARBON LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP disclosed
EP-2215043-A1 CARBON LINKED MODULATORS OF Y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-11 EP disclosed
WO-2009052334-A1 CARBON LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105288-A1 CARBON LINKED MODULATORS OF gamma-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 (2 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-20090105288-A1 CARBON LINKED MODULATORS OF gamma-SECRETASE BACE1, BACE2, PSEN1 CA1 48/4885CA2 1202/4885PTGS1 1614/4885
US-20250282735-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR TEAD1, TEAD2, TEAD3 CA1 576/4885CA2 881/4885PTGS1 2460/4885

“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.