SCHEMBL4625792

SCHEMBL4625792

CC(C)CCCCCOC(=O)c1cc(Cl)c(Br)cc1C(=O)OCCCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR4 Q13639 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR3A P46098 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL4626833 0.94 THRA (0.39) TSHRALDH1A1THRATHRBCYP3A4
SCHEMBL4625693 0.90 TSHR (0.44) TSHRALDH1A1LMNATHRATHRB
SCHEMBL233745 0.90 ALDH1A1 (0.44) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL4628284 0.90 CYP4F2 (0.42) TSHRALDH1A1THRATHRBCYP3A4
SCHEMBL4628476 0.90 ESR1 (0.47) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL4627115 0.85 TSHR (0.40) TSHRALDH1A1LMNATHRATHRB
SCHEMBL4627128 0.85 ALDH1A1 (0.40) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL233889 0.84 ESR1 (0.43) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL4628590 0.84 ESR1 (0.43) TSHRALDH1A1LMNATHRATHRB
SCHEMBL20695600 0.84 TSHR (0.49) TSHRALDH1A1LMNACYP3A4TP53

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
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

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 4817/4885ALDH1A1 725/4885LMNA 4878/4885

“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.