SCHEMBL4625804

SCHEMBL4625804

CCCCOC(=O)c1cc(C)c(Cl)cc1C(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.56
TSHR P16473 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL4625775 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628085 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628676 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628613 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL6909452 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL6910943 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL234193 0.90 ESR1 (0.63) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4625822 0.89 ESR1 (0.58) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4627375 0.88 TSHR (0.65) ESR1TSHRTDP1L3MBTL1CYP1A2
SCHEMBL13950021 0.86 ESR1 (0.63) ESR1TSHRTDP1L3MBTL1CYP1A2

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 ESR1 168/4885TSHR 4817/4885TDP1 2416/4885

“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.