SCHEMBL284015

SCHEMBL284015

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTPN1 P18031 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PTPN11 Q06124 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL263986 0.85 PTPN1 (0.55) RAB9APTPN1LMNAMAPK1KMT2A
SCHEMBL263146 0.83 PTPN11 (0.54) ALDH1A1RAB9ALMNAPTPN11KDM4E
SCHEMBL269137 0.83 PTPN1 (0.40) PTPN1PTPN11KDM4E
SCHEMBL284094 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9APTPN1
SCHEMBL284052 0.82 HSD11B1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9APTPN1
SCHEMBL284008 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9APTPN1
SCHEMBL21573033 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9APTPN1
SCHEMBL7173547 0.71 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL31148953 0.71 MAPT (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL31148952 0.71 MAPT (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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.