SCHEMBL20846409

SCHEMBL20846409

Cc1ccc(Oc2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 1.00
LPAR1 Q92633 1/20 1.00
TDP1 Q9NUW8 2/20 0.86
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.63
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL523652 0.90 TDP1 (0.88) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL1656185 0.87 LPAR3 (0.76) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL124512 0.85 LPAR1 (0.73) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL1657100 0.84 TDP1 (0.72) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL13187733 0.84 TDP1 (0.77) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL15271754 0.83 KMT2A (0.78) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL1656856 0.82 TDP1 (0.69) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL24909290 0.81 LPAR3 (0.68) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL28634112 0.81 TDP1 (0.77) LPAR3LPAR1TDP1KMT2ASMN1; SMN2
SCHEMBL521864 0.80 LPAR3 (0.66) LPAR3LPAR1TDP1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139423-A1 CHEMICAL MODULATORS OF STORE-OPERATED CALCIUM CHANNELS AND THEIR THERAPEUTIC APPLICATIONS THE TEXAS A&M UNIVERSITY SYSTEM 2021-05-13 US disclosed
US-20190092723-A1 CHEMICAL MODULATORS OF STORE-OPERATED CALCIUM CHANNELS AND THEIR THERAPEUTIC APPLICATIONS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-03-28 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-20210139423-A1 CHEMICAL MODULATORS OF STORE-OPERATED CALCIUM CHANNELS AND THEIR THERAPEUTIC APPLICATIONS ORAI1, SARAF, CACNA1C LPAR3 617/4885LPAR1 662/4885TDP1 3428/4885
US-20190092723-A1 CHEMICAL MODULATORS OF STORE-OPERATED CALCIUM CHANNELS AND THEIR THERAPEUTIC APPLICATIONS ORAI1, SARAF, CACNA1C LPAR3 617/4885LPAR1 662/4885TDP1 3428/4885

“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.