SCHEMBL16447448

SCHEMBL16447448

Cc1ccc(P(c2ccc(C)cc2)[C@@H](C)C[C@H](C)P(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.36
MAOA P21397 2/20 0.33
CA7 P43166 2/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL4379629 1.00 ACHE (0.38) ACHETDP1MAPTMAOACA7
SCHEMBL7886834 0.80 CA12 (0.40) ACHETDP1MAPTMAOACA7
SCHEMBL16414441 0.79 IDO1 (0.38) IDO1
SCHEMBL31589 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL28532 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL30277 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL1225131 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10324073 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL6543955 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL25201319 0.77 ACHE (0.44) ACHETDP1MAPTMAOACA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
EP-2832738-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 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-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT ACHE 119/4885TDP1 4093/4885MAPT 1710/4885

“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.