SCHEMBL12313481

SCHEMBL12313481

CCc1cc(C)c(OCCP(c2ccccc2)c2ccccc2)c(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ FFAR4 Q5NUL3 3/20 0.31
▸ SCN8A Q9UQD0 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30

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
SCHEMBL12337359 0.91 MEN1 (0.33) DHFRMEN1KMT2AATMPOLB
SCHEMBL12313476 0.83 KMT2A (0.34) DHFRMEN1KMT2AATMKDM4E
SCHEMBL12337358 0.81 S1PR1 (0.39) DHFRMEN1KMT2AATMPOLB
SCHEMBL10039488 0.79 TP53 (0.35) DHFRMEN1KMT2AL3MBTL1PPARG
SCHEMBL10039481 0.67 RXRA (0.35) DHFR
SCHEMBL20906691 0.67 LTA4H (0.35) TP53PLA2G2A
SCHEMBL23261736 0.66 TP53 (0.41) L3MBTL1TP53
SCHEMBL14291457 0.66 TSHR (0.49) MEN1KMT2AL3MBTL1POLBFFAR4
SCHEMBL11585186 0.65 TP53 (0.43) MEN1KMT2AKDM4ETP53
SCHEMBL7637040 0.64 LMNA (0.49) MEN1KMT2APOLBFFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263794-B2 Process for the partial hydrogenation of fatty acid esters COGNIS IP MANAGEMENT GMBH (DE) 2012-09-11 — — US disclosed
US-20100022664-A1 Process for the partial hydrogenation of fatty acid esters COGNIS IP MANAGEMENT GMBH (DE) 2010-01-28 — — US 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-20100022664-A1 Process for the partial hydrogenation of fatty acid esters ELOVL3, LIPA, FFAR2 DHFR 3897/4885MEN1 4052/4885KMT2A 1355/4885

“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.

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