SCHEMBL794369

SCHEMBL794369

CC(C)=CCC/C(C)=C/C(=O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ATM Q13315 1/20 0.60
POLB P06746 1/20 0.58
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 3/20 0.46
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MAPT P10636 2/20 0.44
UGT1A1 P22309 1/20 0.44
GGPS1 O95749 4/20 0.43
SQLE Q14534 1/20 0.42

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
SCHEMBL794370 1.00 KDM4E (0.60) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL8908580 0.84 KDM4E (0.55) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL8908589 0.84 KDM4E (0.55) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL8908593 0.84 KDM4E (0.55) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL9116583 0.81 KDM4E (0.51) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL8771577 0.79 GGPS1 (0.56) KDM4EATMPOLBKMT2AFNTA
SCHEMBL1618744 0.77 KDM4E (0.72) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL5387180 0.77 KDM4E (0.72) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL808089 0.77 KDM4E (0.72) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL10036485 0.77 KMT2A (0.59) KDM4EATMKMT2AALDH1A1ALOX15

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 9 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
US-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US disclosed
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
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 KDM4E 3901/4885ATM 4262/4885POLB 4334/4885

“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.