SCHEMBL19322263

SCHEMBL19322263

CCCCOc1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
HTR1D P28221 5/20 0.39
HTR1B P28222 5/20 0.39

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
SCHEMBL19322108 0.84 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL19317473 0.82 MTNR1A (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19317475 0.82 AGER (0.41) KDM4EALDH1A1HPGDMAPT
SCHEMBL19322264 0.81 CTSV (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28062893 0.79 KDM4E (0.48) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19317476 0.77 KDM4E (0.49) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19322278 0.74 NR4A2 (0.50) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17378170 0.73 MTNR1A (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17514353 0.73 KDM4E (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29591842 0.73 KDM4E (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253580-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-07 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-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 GABRA1 2944/4885GABRG2 3251/4885GABRB3 3144/4885

“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.