SCHEMBL284008

SCHEMBL284008

CCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
PTPN1 P18031 2/20 0.42
HDAC1 Q13547 2/20 0.42
SRD5A2 P31213 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL21573033 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL284094 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL284052 0.83 HSD11B1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL965418 0.81 RAB9A (0.63) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL263623 0.80 PTPN1 (0.58) TDP1KDM4EPTPN1SRD5A2
SCHEMBL2627055 0.80 CYP2A6 (0.52) ALDH1A1NPC1RAB9ATDP1MAPT
SCHEMBL284015 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL269659 0.79 ACHE (0.46) ALDH1A1NPC1RAB9AACHETDP1
SCHEMBL2627053 0.79 LCK (0.56) ALDH1A1SMN1; SMN2TDP1HSD17B10MAPT
SCHEMBL7218374 0.79 ACHE (0.72) ALDH1A1SMN1; SMN2ACHEMAPTL3MBTL1

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 ALDH1A1 986/4885SMN1; SMN2 1166/4885NPC1 443/4885

“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.