SCHEMBL171542

SCHEMBL171542

CC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
BACE1 P56817 1/20 0.54
APOB P04114 6/20 0.52
MTTP P55157 5/20 0.52
GAA P10253 1/20 0.51
KLRK1 P26718 3/20 0.49
MICA Q29983 3/20 0.49
RAET1L Q5VY80 3/20 0.49
TACR1 P25103 2/20 0.49
CYP2C8 P10632 1/20 0.49
KIF11 P52732 1/20 0.47
PTGS1 P23219 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL6480249 0.84 TRPV1 (0.53) TRPV1SMN1; SMN2SLC6A4SLC6A3
Xenalipin SCHEMBL29881739 0.84 CYP2C8 (0.58) BACE1APOBMTTPGAAKLRK1
Xenalipin SCHEMBL133087 0.84 CYP2C8 (0.58) BACE1APOBMTTPGAAKLRK1
SCHEMBL403609 0.83 GAA (0.51) BACE1APOBMTTPGAAKLRK1
SCHEMBL2564888 0.83 BCAT2 (0.65) BACE1GAAKLRK1MICARAET1L
SCHEMBL171527 0.83 KIF11 (0.47) TRPV1BACE1APOBMTTPGAA
Xenalipin SCHEMBL3723586 0.83 CYP2C8 (0.56) BACE1APOBMTTPGAAKLRK1
SCHEMBL6799567 0.82 APOB (0.61) TRPV1APOBMTTPPTGS1SMN1; SMN2
SCHEMBL6850836 0.82 GAA (0.61) APOBMTTPGAAKLRK1MICA
SCHEMBL10645473 0.82 SLC6A3 (0.69) BACE1APOBMTTPGAAKLRK1

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
WO-2021094436-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
EP-1694644-B1 N-ARYL PIPERIDINE SUBSTITUTED BIPHENYLCARBOXAMIDES AS INHIBITORS OF APOLIPOPROTEIN B JANSSEN PHARMACEUTICA NV (BE) 2012-03-07 EP 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-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 TRPV1 2188/4885BACE1 1595/4885APOB 3707/4885

“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.