SCHEMBL11565480

SCHEMBL11565480

Nc1ccc(OCC2CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
XDH P47989 1/20 0.43
TRPA1 O75762 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
RIPK1 Q13546 1/20 0.41
HTR2C P28335 6/20 0.41
HTR2B P41595 4/20 0.41
HTR2A P28223 4/20 0.41
S1PR1 P21453 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NR1H2 P55055 1/20 0.38
RBP4 P02753 1/20 0.38
TTR P02766 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL4929495 0.88 NR1H2 (0.49) HPGDXDHCTSSCTSKNR1H2
SCHEMBL23915569 0.81 TRPA1 (0.41) HPGDXDHTRPA1TRPM8TRPV1
SCHEMBL14453661 0.81 NFE2L2 (0.54) HPGDGLAPOLBGAATSHR
SCHEMBL26460476 0.80 GAA (0.53) HPGDGLAPOLBGAATSHR
SCHEMBL1920066 0.79 HPGD (0.47) HPGDTRPA1TRPM8TRPV1HTR2C
SCHEMBL1919321 0.79 HPGD (0.47) HPGDXDHTRPA1TRPM8TRPV1
SCHEMBL27837530 0.79 HPGD (0.47) HPGDTRPA1TRPM8TRPV1RIPK1
SCHEMBL2546337 0.79 HTR2C (0.47) RIPK1HTR2CHTR2BHTR2A
SCHEMBL2791295 0.78 ALDH1A1 (0.53) GLAPOLBGAATSHRHTR2C
SCHEMBL23344654 0.78 HPGD (0.47) HPGDTRPA1TRPM8TRPV1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
EP-3781572-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS Virginia Tech Intellectual Properties, Inc. (US) 2021-02-24 EP disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO disclosed
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 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-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS NDUFAF1, OXA1L, GLS2 HPGD 257/4885GLA 3157/4885POLB 3530/4885

“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.