SCHEMBL16237384

SCHEMBL16237384

OC(C1CCCCC1)C1CCC(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 8/20 0.37
DPP7 Q9UHL4 2/20 0.35
EPHX1 P07099 2/20 0.34

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
SCHEMBL16238305 0.89
SCHEMBL28204907 0.84 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL9254730 0.84 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL1077444 0.84 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL2712401 0.81 TP53 (0.46) TP53KDM4EGMNNLMNAMAPT
SCHEMBL14141274 0.78
SCHEMBL15352983 0.77 TSHR (0.45) TP53KDM4EGMNNLMNAMAPT
SCHEMBL23898420 0.76 CPN1 (0.34) PMP22DPP4
Benzene SCHEMBL27966857 0.76 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL9545134 0.75 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT

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-20160102058-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2016-04-14 US disclosed
US-20160102058-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2016-04-14 US disclosed
US-20160102058-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2016-04-14 US disclosed
EP-2997012-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE The University Court of The University of Aberdeen (GB) 2016-03-23 EP disclosed
WO-2014184561-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2014-11-20 WO disclosed
WO-2014184561-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2014-11-20 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-20160102058-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE CPT2, CPT1A, CPT1B TP53 1202/4885KDM4E 1718/4885GMNN 2174/4885

“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.