SCHEMBL12373312

SCHEMBL12373312

Cn1ccc2ccc(Cc3ccccc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
FAAH O00519 3/20 0.48
IDH1 O75874 1/20 0.43
CALM1 P0DP23 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
BRD4 O60885 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
HSD11B1 P28845 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 1/20 0.38
PRKCI P41743 1/20 0.38
HNF4A P41235 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL12403338 0.82 CA1 (0.47) FAAHCYP2D6TRPM8
SCHEMBL8303438 0.79 CYP2A6 (0.50) CYP2A6FAAHL3MBTL1PRKCICDK4
SCHEMBL1255190 0.79 CYP2A6 (0.46) CYP2A6FAAHL3MBTL1PRKCI
SCHEMBL25185804 0.78 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1TRPM8PRKCI
SCHEMBL14473327 0.78 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1TRPM8PRKCI
SCHEMBL111470 0.78 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1PRKCI
SCHEMBL6583538 0.78 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1TRPM8PRKCI
Hydrochloric Acid SCHEMBL27898641 0.76 CYP2A6 (0.47) CYP2A6FAAHL3MBTL1BRD4TRPM8
SCHEMBL17316721 0.76 KDM4E (0.54) CYP2A6FAAHLMNA
SCHEMBL2176865 0.76 ALOX5 (0.58) SLC6A2SLC6A3LMNACDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS CYP2A6 4316/4885FAAH 1011/4885IDH1 500/4885

“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.