SCHEMBL4641173

SCHEMBL4641173

CCCCC(OC(=O)c1cc(Cl)c(Br)cc1C(=O)OC(CCCC)C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
THRB P10828 5/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ESR1 P03372 3/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
MAPT P10636 1/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
THRA P10827 3/20 0.33
CA2 P00918 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4641178 0.95 ALDH1A1 (0.40) ALDH1A1THRBHPGDTSHRMAPK1
SCHEMBL4640631 0.90 ALDH1A1 (0.39) ALDH1A1THRBHPGDTSHRMAPK1
SCHEMBL4641126 0.90 ALDH1A1 (0.39) ALDH1A1THRBTSHRMAPK1ESR1
SCHEMBL4640639 0.86 L3MBTL1 (0.36) ALDH1A1THRBHPGDTHRACA2
SCHEMBL4643042 0.85 ALDH1A1 (0.36) ALDH1A1THRBHPGDTSHRMAPK1
SCHEMBL4640633 0.85 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1ESR1PRKCA
SCHEMBL4640759 0.85 ALDH1A1 (0.36) ALDH1A1THRBTSHRMAPK1ESR1
SCHEMBL4641128 0.85 ALDH1A1 (0.44) ALDH1A1THRBTSHRMAPK1ESR1
SCHEMBL4639906 0.85 ALDH1A1 (0.36) ALDH1A1THRBTSHRMAPK1ESR1
SCHEMBL4640968 0.85 ALDH1A1 (0.36) ALDH1A1THRBHPGDTSHRMAPK1

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 4 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
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-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US 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 ALDH1A1 725/4885THRB 4646/4885HPGD 9/4885

“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.