SCHEMBL623984

SCHEMBL623984

C=CCc1ccc(OC)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
ALOX5 P09917 1/20 0.45
AR P10275 1/20 0.45
PTGS1 P23219 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
NNMT P40261 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3881081 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL249158 0.83 NNMT (0.49) SMN1; SMN2NNMTLMNAMAPTKDM4E
SCHEMBL27639119 0.79 KDM1A (0.41) NNMTLMNAMAPTKDM4EMEN1
SCHEMBL2642344 0.79 KDM1A (0.43) NNMTLMNAMAPTKDM4EMEN1
SCHEMBL128892 0.79 MEN1 (0.44) SMN1; SMN2NNMTLMNAMAPTKDM4E
SCHEMBL12649387 0.77 CASP3 (0.44) SMN1; SMN2TP53NNMTMAPTKDM4E
SCHEMBL91410 0.76 KDM1A (0.44) NNMTLMNAMAPTKDM4EMEN1
SCHEMBL27943209 0.76 NNMT (0.42) SMN1; SMN2NNMTLMNAMAPTKDM4E
SCHEMBL31666977 0.76 TAAR1 (0.52) CYP3A4TSHRNNMTLMNAKDM4E
SCHEMBL16797049 0.76 MEN1 (0.45) SMN1; SMN2NNMTMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193895-B Method for producing tricyclic ketone YAKULT HONSHA KK 2011-06-01 CN claimed
US-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
CN-101193895-B Method for producing tricyclic ketone YAKULT HONSHA KK 2011-06-01 CN disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
CN-101193895-A Method for producing tricyclic ketone YAKULT HONSHA KK (JP) 2008-06-04 CN disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 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 (2 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-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY ALDH1A1 1539/4885SMN1; SMN2 3455/4885CYP3A4 69/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY ALDH1A1 1539/4885SMN1; SMN2 3455/4885CYP3A4 69/4885

“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.