SCHEMBL6581360

SCHEMBL6581360

CN(C(=O)C(F)(F)F)c1cccc2ccc(O)cc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.60
TRPV1 Q8NER1 9/20 0.56
PTPN1 P18031 6/20 0.47
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL10945613 0.83 SIGMAR1 (0.59) TRPV1SIGMAR1KDM4EMEN1KMT2A
SCHEMBL3440742 0.82 MCL1 (0.68) MCL1TRPV1PTPN1SIGMAR1KDM4E
Hydrochloric Acid SCHEMBL11015680 0.77 MCL1 (0.60) MCL1TRPV1PTPN1SIGMAR1KDM4E
SCHEMBL14916225 0.77 ALDH1A1 (0.40) MEN1MAPTKMT2A
SCHEMBL29349880 0.76 MCL1 (1.00) MCL1TRPV1PTPN1SIGMAR1KDM4E
Hydrochloric Acid SCHEMBL6432796 0.75 MCL1 (0.57) MCL1TRPV1PTPN1SIGMAR1KDM4E
Hydrochloric Acid SCHEMBL7638732 0.75 MCL1 (0.57) MCL1TRPV1PTPN1SIGMAR1KDM4E
SCHEMBL2709841 0.74 MEN1 (0.38) TRPV1MEN1MAPTKMT2A
SCHEMBL25969106 0.74 MCL1 (0.65) MCL1TRPV1PTPN1KDM4EMEN1
SCHEMBL206372 0.72 MCL1 (0.58) MCL1TRPV1PTPN1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US disclosed
EP-1414788-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003014064-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-02-20 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-20040259875-A1 Amine derivatives AVPR1A, GRIN1, OPRL1 MCL1 2609/4885TRPV1 14/4885PTPN1 1209/4885

“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.