SCHEMBL25713169

SCHEMBL25713169

CC/C=C/CCCOC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.44
LPAR2 Q9HBW0 3/20 0.44
LPAR1 Q92633 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
NR1I2 O75469 2/20 0.43
PTGS2 P35354 2/20 0.43
PGR P06401 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
F7 P08709 3/20 0.39
CYP19A1 P11511 3/20 0.39
F3 P13726 3/20 0.39
PTGS1 P23219 2/20 0.39
PPARG P37231 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL11801564 1.00 LPAR3 (0.44) LPAR3LPAR2LPAR1ADORA3NR1I2
SCHEMBL19194612 0.94 ADORA3 (0.51) LPAR3LPAR2LPAR1ADORA3NR1I2
SCHEMBL19194614 0.94 ADORA3 (0.51) LPAR3LPAR2LPAR1ADORA3NR1I2
SCHEMBL3031134 0.91 LPAR2 (0.55) LPAR3LPAR2LPAR1NR1I2PTGS2
SCHEMBL4622033 0.91 LPAR2 (0.55) LPAR3LPAR2LPAR1NR1I2PTGS2
SCHEMBL3035572 0.91 LPAR2 (0.55) LPAR3LPAR2LPAR1NR1I2PTGS2
SCHEMBL3035332 0.86 FAAH (0.46) LPAR3LPAR2LPAR1ALDH1A1ALOX15
SCHEMBL27325796 0.86 FAAH (0.46) LPAR3LPAR2LPAR1ALDH1A1ALOX15
SCHEMBL3035570 0.86 FAAH (0.46) LPAR3LPAR2LPAR1ALDH1A1ALOX15
SCHEMBL19194613 0.86 ALDH1A1 (0.51) LPAR3LPAR2LPAR1ADORA3NR1I2

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
US-20230348457-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL LTD (CN) 2023-11-02 US disclosed
US-20230295151-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2023-09-21 US disclosed
US-11685735-B2 Pharmaceutical composition comprising berberine salts for the treatment of various diseases or disorders SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2023-06-27 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-20230348457-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF CYP27A1, NR1H4, CYP7A1 LPAR3 1389/4885LPAR2 2224/4885LPAR1 1307/4885
US-11685735-B2 Pharmaceutical composition comprising berberine salts for the treatment of various diseases or disorders CPT1B, CYP27A1, GLS2 LPAR3 1447/4885LPAR2 2458/4885LPAR1 1420/4885
US-20230295151-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF CYP27A1, NR1H4, CYP7A1 LPAR3 1389/4885LPAR2 2224/4885LPAR1 1307/4885

“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.