SCHEMBL4640968

SCHEMBL4640968

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
ESR1 P03372 2/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
MAPT P10636 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4640971 0.95 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL4640668 0.95 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL4640631 0.92 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL4639936 0.90 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1UTS2RESR1
SCHEMBL4640633 0.86 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1ESR1PRKCA
SCHEMBL4643042 0.86 ALDH1A1 (0.36) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL4639929 0.86 UTS2R (0.34) HPGDRAB9AUTS2RMAPTCA2
SCHEMBL4641173 0.85 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1ESR1
SCHEMBL4639941 0.85 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1UTS2RESR1
SCHEMBL4639910 0.85 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1UTS2RESR1

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 725/4885HPGD 9/4885RAB9A 4158/4885

“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.