SCHEMBL269659

SCHEMBL269659

CC(C)(C)C(=O)c1ccc2cc(C(C)(C)C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
HDAC1 Q13547 1/20 0.44
SRD5A2 P31213 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
SIRT1 Q96EB6 1/20 0.42
PTPN1 P18031 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL16722810 0.88 CES2 (0.46) TDP1PTPN1MAPTALDH1A1ALOX15
SCHEMBL2627055 0.83 CYP2A6 (0.52) HDAC1SRD5A2TDP1SIRT1PTPN1
SCHEMBL263623 0.83 PTPN1 (0.58) SRD5A2TDP1PTPN1RXRARXRB
SCHEMBL269267 0.83 PTPN1 (0.44) ACHEPTPN1
SCHEMBL269488 0.82 PTPN1 (0.43) ACHEPTPN1
SCHEMBL2627053 0.81 LCK (0.56) HDAC1SRD5A2TDP1SIRT1PTPN1
SCHEMBL855617 0.81 CES2 (0.61) HDAC1TDP1PTPN1MAPTALDH1A1
SCHEMBL5927848 0.80 HDAC1 (0.59) HDAC1SRD5A2TDP1SIRT1MAPT
SCHEMBL20507035 0.79 MEN1 (0.53) TDP1ALOX15HSD17B10MAPK1RARB
SCHEMBL10458011 0.79 CYP2A6 (0.56) TDP1ALDH1A1LMNARARBRARG

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 ACHE 1793/4885HDAC1 2344/4885SRD5A2 2074/4885

“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.