SCHEMBL4626482

SCHEMBL4626482

CCCCc1ccc(C(=O)OCC)c(C(=O)OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
KAT8 Q9H7Z6 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL2686492 0.92 TSHR (0.55) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL28557199 0.89 TSHR (0.43) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL4628347 0.89 TSHR (0.63) TSHRPPARAPPARGKAT8TDP1
SCHEMBL28549196 0.87 CYP4F2 (0.48) TSHRCYP4F2CYP4A11PPARAPPARG
SCHEMBL27640498 0.86 TSHR (0.65) TSHRPPARAPPARGKAT8TDP1
SCHEMBL28056969 0.86 CYP4F2 (0.54) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL21267971 0.86 ALDH1A1 (0.54) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL28281267 0.86 SKP2 (0.55) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL4625542 0.85 ALDH1A1 (0.55) TSHRCA2PPARAPPARGKAT8
SCHEMBL14974660 0.85 PPARA (0.50) TSHRCYP4F2CYP4A11CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188739-B1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO LTD (JP) 2008-08-13 EP disclosed
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed
US-6670497-B2 Dialkyl (at least one of which is a C4-8 tertiary alkyl) ester of an alkyl- or halo-substituted phthalic acid; used in an olefin polymerization catalyst TOHO TITANIUM CO., LTD. (JP) 2003-12-30 US disclosed
US-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP disclosed
EP-1188739-A1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO., LTD. (JP) 2002-03-20 EP disclosed
US-4628126-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1986-12-09 US disclosed
US-4564514-A Process for the production of water-free organic hydrogen peroxide solution DEGUSSA AKTIENGESELLSCHAFT (DE) 1986-01-14 US disclosed
US-4551562-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-11-05 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-20030036594-A1 Phthalic diester derivatives and electron donors HPD, ETFA, PPOX TSHR 4817/4885CYP4F2 220/4885CYP4A11 259/4885

“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.