SCHEMBL794098

SCHEMBL794098

CC(C)=CCCC(C)=CC(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.56
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.47
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
DEGS1 O15121 1/20 0.46

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
SCHEMBL794097 1.00 TRPV1 (0.56) TRPV1KDM4EATMPOLBFNTA
SCHEMBL12635058 0.81 TRPV1 (0.73) TRPV1FNTAFNTB
SCHEMBL28570841 0.80 TRPV1 (0.56) TRPV1POLB
SCHEMBL13696700 0.79 TRPV1 (0.46) TRPV1KDM4EATMPOLBFNTA
SCHEMBL9362596 0.79 TRPV1 (0.46) TRPV1KDM4EATMPOLBFNTA
SCHEMBL11531994 0.79 NAPRT (0.52) KDM4EPOLBNPC1CASP3RAB9A
SCHEMBL17165759 0.79 NAPRT (0.52) KDM4EPOLBNPC1CASP3RAB9A
SCHEMBL11531991 0.79 NAPRT (0.52) KDM4EPOLBNPC1CASP3RAB9A
SCHEMBL7679084 0.78 SMN1; SMN2 (0.67) KDM4EPOLBNPC1CASP3RAB9A
SCHEMBL396577 0.78 SMN1; SMN2 (0.67) KDM4EPOLBNPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US claimed
EP-2616056-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS Neuroquest Inc. (CA) 2013-07-24 EP claimed
WO-2012034232-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2012-03-22 WO claimed
US-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US disclosed
EP-2616056-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS Neuroquest Inc. (CA) 2013-07-24 EP disclosed
WO-2012034232-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2012-03-22 WO 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-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS PMP22, PTGES, GGPS1 TRPV1 8/4885KDM4E 3901/4885ATM 4262/4885

“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.