SCHEMBL2884812

SCHEMBL2884812

COc1ccc(C(=CC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
RAB9A P51151 1/20 0.51
AKR1C3 P42330 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL8895115 0.82 CA1 (0.61) CA1CA2MAPK1HSD17B10RAB9A
SCHEMBL28952471 0.80 MAPT (0.48) CA1CA2MAPK1HSD17B10AKR1C3
SCHEMBL4775774 0.80 CA1 (0.59) CA1CA2MAPK1HSD17B10RAB9A
SCHEMBL4775778 0.80 CA1 (0.59) CA1CA2MAPK1HSD17B10RAB9A
SCHEMBL525212 0.80 AKR1C1 (0.53) CA1CA2MAPK1HSD17B10AKR1C3
SCHEMBL31160503 0.79 CA1 (0.57) CA1CA2MAPK1HSD17B10RAB9A
SCHEMBL10722665 0.79 CA1 (0.57) CA1CA2AKR1C3CES2CES1
SCHEMBL9220935 0.79 CA1 (0.57) CA1CA2MAPK1RAB9AAKR1C3
SCHEMBL9220929 0.79 CA1 (0.57) CA1CA2MAPK1RAB9AAKR1C3
SCHEMBL29241975 0.79 CA1 (0.57) CA1CA2MAPK1HSD17B10RAB9A

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 CA1 3067/4885CA2 926/4885MAPK1 3790/4885

“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.