SCHEMBL2473970

SCHEMBL2473970

C/C(=C\C(=O)O)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.65
NR4A2 P43354 1/20 0.65
NR4A3 Q92570 1/20 0.65
MAPT P10636 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
TBXAS1 P24557 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TNFRSF1A P19438 1/20 0.41
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL1972602 1.00 NR4A1 (0.65) NR4A1NR4A2NR4A3MAPTCES2
SCHEMBL3860961 1.00 NR4A1 (0.65) NR4A1NR4A2NR4A3MAPTCES2
SCHEMBL6497484 0.94 NR4A1 (0.59) NR4A1NR4A2NR4A3MAPTCES2
SCHEMBL1842885 0.94 NR4A1 (0.59) NR4A1NR4A2NR4A3MAPTCES2
SCHEMBL6497479 0.94 NR4A1 (0.59) NR4A1NR4A2NR4A3MAPTCES2
SCHEMBL6130313 0.85 CES2 (0.50) NR4A1NR4A2NR4A3MAPTCES2
SCHEMBL6130314 0.85 CES2 (0.50) NR4A1NR4A2NR4A3MAPTCES2
SCHEMBL29629277 0.83 MAPT (0.63) NR4A1NR4A2NR4A3MAPTCES2
SCHEMBL29119466 0.83 NR4A1 (0.63) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL1842528 0.82 NR4A1 (0.54) NR4A1NR4A2NR4A3MAPTBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229152-B 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof 中国药科大学 2020-06-23 CN claimed
US-20230303496-A1 SELECTIVE ANDROGEN RECEPTOR COVALENT ANTAGONISTS (SARCAs) AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2023-09-28 US disclosed
US-20230303496-A1 SELECTIVE ANDROGEN RECEPTOR COVALENT ANTAGONISTS (SARCAs) AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2023-09-28 US disclosed
CN-110229152-B 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof 中国药科大学 2020-06-23 CN disclosed
US-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-02 US disclosed
US-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-11-15 US disclosed
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP 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-20230303496-A1 SELECTIVE ANDROGEN RECEPTOR COVALENT ANTAGONISTS (SARCAs) AND METHODS OF USE THEREOF AR, BRCA1, PSMA1 NR4A1 697/4885NR4A2 556/4885NR4A3 466/4885
US-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids ELOVL5, FASN, ACSL5 NR4A1 1816/4885NR4A2 3036/4885NR4A3 3137/4885
US-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS ELOVL5, FASN, ACSL5 NR4A1 2107/4885NR4A2 3419/4885NR4A3 3540/4885

“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.