SCHEMBL16489774

SCHEMBL16489774

C[C@@H](C[C@H](C)P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
GRIA4 P48058 4/20 0.35
BCHE P06276 5/20 0.34
ACHE P22303 5/20 0.34
ALDH1A1 P00352 2/20 0.33
KIF11 P52732 1/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16489817 1.00 TSHR (0.39) TSHRTP53LMNATYRGRIA4
SCHEMBL4373239 1.00 TSHR (0.39) TSHRTP53LMNATYRGRIA4
SCHEMBL21836284 1.00 TSHR (0.39) TSHRTP53LMNATYRGRIA4
SCHEMBL4371673 0.78 TSHR (0.38) TSHRTP53LMNATYRGRIA4
SCHEMBL4378404 0.77 TSHR (0.41) TSHRTP53LMNATYRGRIA4
SCHEMBL4376395 0.77 TSHR (0.41) TSHRTP53LMNATYRGRIA4
SCHEMBL4379629 0.76 ACHE (0.38) ACHEALDH1A1
SCHEMBL16447448 0.76 ACHE (0.38) ACHEALDH1A1
SCHEMBL4381023 0.75 TSHR (0.36) TSHRTP53LMNATYRGRIA4
SCHEMBL4371679 0.75 TSHR (0.36) TSHRTP53LMNATYRGRIA4

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
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

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 TSHR 846/4885TP53 4550/4885LMNA 4698/4885

“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.