SCHEMBL3720136

SCHEMBL3720136

CCCOc1ccc(O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
LTA4H P09960 1/20 0.52
ESR1 P03372 12/20 0.49
ESR2 Q92731 6/20 0.47
AR P10275 3/20 0.47
KMT2A Q03164 2/20 0.45
PDIA6 Q15084 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 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
SCHEMBL10801503 0.92 ESR1 (0.56) PTGS1PTGS2LTA4HESR1ESR2
SCHEMBL13763431 0.87 NR5A1 (0.61) LTA4HESR1ESR2PDIA6TP53
SCHEMBL9699012 0.87 NR5A1 (0.61) LTA4HESR1ESR2PDIA6TP53
SCHEMBL9008243 0.87 NR5A1 (0.61) LTA4HESR1ESR2PDIA6TP53
SCHEMBL9698564 0.87 NR5A1 (0.61) LTA4HESR1ESR2PDIA6TP53
SCHEMBL25797832 0.86 PDIA6 (0.54) LTA4HESR1ESR2ARPDIA6
SCHEMBL25797827 0.86 PDIA6 (0.54) LTA4HESR1ESR2ARPDIA6
SCHEMBL92209 0.85 NR1I2 (0.46) ESR1ESR2ARPDIA6CA12
SCHEMBL4233371 0.85 LTA4H (0.56) PTGS1PTGS2LTA4HKMT2ACA12
SCHEMBL3720970 0.84 NQO1 (0.52) LTA4HESR1ESR2ARTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP disclosed
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
WO-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 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 (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-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD PTGS1 474/4885PTGS2 594/4885LTA4H 1432/4885
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 PTGS1 1453/4885PTGS2 2612/4885LTA4H 1557/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 PTGS1 1/4885PTGS2 8/4885LTA4H 323/4885

“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.