SCHEMBL23925823

SCHEMBL23925823

Cc1c(CCC(=O)O)ccc2c1CC(=O)O2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.36
FFAR4 Q5NUL3 9/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL27571225 0.79 PARP1 (0.42) NPSR1ALDH1A1GAACA12CA9
SCHEMBL17328852 0.75 CYP1A2 (0.34)
SCHEMBL16048632 0.71 NPSR1 (0.52) NPSR1POLBFFAR4
SCHEMBL23925952 0.71 NPSR1 (0.57) NPSR1POLBRXRARXRBRXRG
SCHEMBL5365733 0.71 NPSR1 (0.41) NPSR1POLBKDM4E
SCHEMBL23926031 0.70 TSHR (0.44) KDM4EALDH1A1GLAGAATSHR
SCHEMBL13705918 0.68 F13A1 (0.40) FFAR4ALDH1A1TSHR
SCHEMBL9997112 0.66 IAPP (0.51) NPSR1POLBFFAR4
SCHEMBL7080318 0.66 MTNR1A (0.38) ALDH1A1GAACA12CA9
SCHEMBL1178702 0.65 NPSR1 (0.48) NPSR1FFAR4HPGDTSHR

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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US claimed
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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 (1 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 NPSR1 1501/4885POLB 2049/4885FFAR4 605/4885

“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.