SCHEMBL2886181

SCHEMBL2886181

COc1ccccc1/C=C(/C(=O)O)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 4/20 0.57
PKM P14618 1/20 0.57
MAPT P10636 5/20 0.50
NFE2L2 Q16236 3/20 0.50
MEN1 O00255 2/20 0.50
PLIN1 O60240 1/20 0.50
POLB P06746 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
TFEB P19484 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
BCHE P06276 1/20 0.49
TRPA1 O75762 1/20 0.45
MAPK1 P28482 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2886179 1.00 LMNA (0.57) LMNAKMT2AKDM4EPKMMAPT
SCHEMBL27206802 1.00 LMNA (0.57) LMNAKMT2AKDM4EPKMMAPT
SCHEMBL26611686 0.82 CA12 (0.46) LMNAKMT2AKDM4EPKMMAPT
SCHEMBL998236 0.80 LMNA (0.64) LMNAKMT2AKDM4EPKMMAPT
SCHEMBL9874966 0.78 KMT2A (0.46) LMNAKMT2AMEN1TDP1ALDH1A1
SCHEMBL2066256 0.78 LMNA (0.62) LMNAKMT2AKDM4EPKMMAPT
SCHEMBL3626826 0.78 LMNA (0.62) LMNAKMT2AKDM4EPKMMAPT
SCHEMBL28904916 0.77 LMNA (0.60) LMNAKMT2AKDM4EPKMMAPT
SCHEMBL6455663 0.77 LMNA (0.60) LMNAKMT2AKDM4EPKMMAPT
SCHEMBL16971086 0.76 ALDH1A1 (0.49) LMNAKMT2APKMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 LMNA 3282/4885KMT2A 3157/4885KDM4E 854/4885

“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.