SCHEMBL4640160

SCHEMBL4640160

CCCCCC(C)(C)OC(=O)c1ccc(Br)cc1C(=O)OC(C)(C)CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 4/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.35
HTR4 Q13639 1/20 0.35
MGLL Q99685 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4640163 0.93 POLB (0.45) HPGDTHRBHTTPOLBTSHR
SCHEMBL4639899 0.90 HPGD (0.38) HPGDTHRBHTTPOLBATM
SCHEMBL19847013 0.85 ATM (0.39) HPGDTHRBHTTPOLBTP53
SCHEMBL10751437 0.84 TSHR (0.47) HPGDTSHRMAPK1TP53CYP3A4
SCHEMBL4640852 0.83 ALDH1A1 (0.42) THRBPOLBTSHRMAPK1TP53
SCHEMBL4640010 0.83 CNR2 (0.38) THRBHTTTSHRMAPK1TP53
SCHEMBL4639901 0.83 POLB (0.42) POLBALDH1A1AKR1C2AKR1C1
SCHEMBL4643236 0.83 TSHR (0.38) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL1014226 0.82 TSHR (0.56) HTTPOLBTSHRMAPK1TP53
SCHEMBL8904300 0.81 ALDH1A1 (0.57) POLBTSHRMAPK1TP53CYP3A4

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 HPGD 9/4885THRB 4646/4885HTT 730/4885

“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.