SCHEMBL31064944

SCHEMBL31064944

COc1ccc(C(=O)O)oc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HPGD P15428 6/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 2/20 0.55
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
TPMT P51580 1/20 0.44
CA3 P07451 1/20 0.43

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
SCHEMBL30963562 0.83 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL22616159 0.83 CFD (0.51) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL7138575 0.74 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL54695 0.74 KMT2A (0.54) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL27932230 0.73 TDP1 (0.58) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL10712556 0.73 HPGD (0.50) ALDH1A1HPGDKDM4EHSD17B10TDP1
Hydrochloric Acid SCHEMBL31462928 0.72 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL5842967 0.72 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL2707336 0.71 TDP1 (0.47) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL11904537 0.71 TDP1 (0.61) ALDH1A1HPGDKDM4EHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270740-A1 INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. 2024-08-15 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 (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-20240270740-A1 INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF CGAS, GMPS, PRKG1 ALDH1A1 1281/4885HPGD 598/4885KDM4E 3763/4885

“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.