SCHEMBL4640905

SCHEMBL4640905

CCCCCC(C)(C)OC(=O)c1cccc(I)c1C(=O)OC(C)(C)CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL4640911 0.92 TSHR (0.38) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL4639852 0.91 ALDH1A1 (0.35) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL4640023 0.84 PTPN1 (0.40) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL4640569 0.84 TSHR (0.39) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL1014226 0.83 TSHR (0.56) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL4639853 0.83 ALDH1A1 (0.33) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL8904300 0.82 ALDH1A1 (0.57) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL3313584 0.82 ALDH1A1 (0.57) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL4640027 0.80 PTPN1 (0.48) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL4640076 0.80 TSHR (0.38) TSHRCYP3A4TP53MAPK1ALDH1A1

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 TSHR 4817/4885CYP3A4 424/4885TP53 3298/4885

“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.