SCHEMBL4640516

SCHEMBL4640516

CCC(OC(=O)c1cccc(F)c1C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
KMT2A Q03164 3/20 0.38
ALB P02768 1/20 0.36
MEN1 O00255 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PLK1 P53350 1/20 0.34
LMNA P02545 1/20 0.34
BDKRB1 P46663 1/20 0.34
KCNH2 Q12809 1/20 0.33
POLB P06746 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
SCHEMBL4640512 0.92 KMT2A (0.40) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL4641251 0.88 PTPN1 (0.44) PTPN1KMT2AMEN1ALDH1A1PLK1
SCHEMBL4640138 0.85 KMT2A (0.37) KMT2AMEN1ALDH1A1KCNH2POLB
SCHEMBL4640026 0.84 MEN1 (0.36) KMT2AMEN1ALDH1A1LMNAKCNH2
SCHEMBL4640220 0.84 PBRM1 (0.39) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL4640007 0.83 PTPN1 (0.41) PTPN1KMT2AALBADRB2ADRB1
SCHEMBL15675541 0.80 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1LMNAKCNH2
SCHEMBL15675540 0.80 TSHR (0.48) KMT2AMEN1ALDH1A1LMNAKCNH2
SCHEMBL4641250 0.80 ALDH1A1 (0.39) PTPN1KMT2AADRB2ADRB1ADRB3
SCHEMBL4640692 0.79 PRKCA (0.43) PTPN1KMT2AALBALDH1A1CES2

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 PTPN1 4435/4885KMT2A 3313/4885ALB 4410/4885

“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.