SCHEMBL12658317

SCHEMBL12658317

CCc1cc(F)cc(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
IDO1 P14902 2/20 0.40
PTGS2 P35354 1/20 0.39
TP53 P04637 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
TRPA1 O75762 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
KDM1A O60341 1/20 0.32
HSPA5 P11021 1/20 0.31

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
SCHEMBL148110 0.94 IDO1 (0.46) LMNAIDO1PTGS2TP53TRPA1
SCHEMBL16810693 0.89 LMNA (0.35) LMNAIDO1PTGS2TP53RXRA
SCHEMBL16961327 0.87 CYP4F2 (0.48) LMNAIDO1PTGS2RXRARXRB
SCHEMBL13226845 0.87 PTGS2 (0.37) LMNAIDO1PTGS2RXRARXRB
SCHEMBL7499745 0.84 ACHE (0.37) LMNAIDO1PTGS2TP53L3MBTL1
SCHEMBL22169009 0.83 CA2 (0.38) LMNAIDO1PTGS2RXRARXRB
SCHEMBL9928604 0.83 ALDH1A1 (0.38) LMNAIDO1L3MBTL1TAAR1
SCHEMBL28806252 0.83 PTGS2 (0.48) LMNAPTGS2TP53RXRARXRB
SCHEMBL439074 0.83 PTGS2 (0.48) LMNAPTGS2TP53RXRARXRB
SCHEMBL15275552 0.82 IDO1 (0.38) LMNAIDO1PTGS2TP53L3MBTL1

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
EP-3923365-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE Samsung Display Co., Ltd. (KR) 2021-12-15 EP disclosed
US-9193740-B2 Bismacrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
WO-2013177668-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2013-12-05 WO disclosed
US-20110123496-A1 BISMACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-05-26 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-20110123496-A1 BISMACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS PRSS1, CTSC, CES1 LMNA 1377/4885IDO1 839/4885PTGS2 1525/4885

“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.