SCHEMBL7399104

SCHEMBL7399104

CSc1ccc(C)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
ACHE P22303 1/20 0.45
TRPA1 O75762 1/20 0.45
PTGS1 P23219 1/20 0.45
CACNA1C Q13936 1/20 0.45
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL11666686 0.83 TSHR (0.50) MCL1TSHRCASP1ACHETRPA1
SCHEMBL27530049 0.81 MCL1 (0.53) MCL1TSHRMAPTHPGDHSD17B10
SCHEMBL2912899 0.81 MCL1 (0.53) MCL1TSHRMAPTHPGDHSD17B10
SCHEMBL2122382 0.80 MCL1 (0.57) MCL1TRPA1MAPTHPGDHSD17B10
SCHEMBL23712588 0.79 TSHR (0.46) TSHRCASP1ACHETRPA1PTGS1
SCHEMBL8442226 0.77 MAPT (0.50) MCL1TSHRMAPTHPGDHSD17B10
SCHEMBL5181271 0.76 MCL1 (0.48) MCL1TSHRMAPTHPGDHSD17B10
SCHEMBL7209407 0.76 TSHR (0.48) TSHRCASP1ACHETRPA1PTGS1
SCHEMBL18663454 0.76 TSHR (0.43) MCL1TSHRCASP1ACHETRPA1
SCHEMBL10607408 0.74 HSD17B10 (0.50) MCL1TSHRMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-10302821-B2 Tinting enhancers for hard coat tinting ESSILOR INTERNATIONAL (FR) 2019-05-28 US disclosed
EP-2992058-B1 TINTING ENHANCERS FOR HARD COAT TINTING ESSILOR INT (FR) 2018-06-06 EP disclosed
US-20160077241-A1 Tinting Enhancers for Hard Coat Tinting ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-03-17 US disclosed
US-20160010276-A1 Arylene Carriers for Enhanced Polycarbonate Tinting ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-01-14 US disclosed
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 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 (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-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 MCL1 3436/4885TSHR 3115/4885CASP1 1683/4885

“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.