SCHEMBL4638563

SCHEMBL4638563

C[Si](C)(C)C#CC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
CYP19A1 P11511 7/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.38
PTGER4 P35408 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TACR1 P25103 3/20 0.37
CYP2C9 P11712 1/20 0.37
TP53 P04637 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL4637826 0.87 ALDH1A1 (0.47) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4638473 0.84 ALDH1A1 (0.65) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4638914 0.84 ALDH1A1 (0.43) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4637775 0.83 POLB (0.45) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4638482 0.83 ALDH1A1 (0.44) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4637824 0.83 ALDH1A1 (0.44) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4706776 0.83 ALDH1A1 (0.54) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4638053 0.83 ALDH1A1 (0.44) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4707976 0.81 CYP19A1 (0.57) ALDH1A1GAACYP19A1TSHRPOLB
SCHEMBL4637752 0.80 CYP19A1 (0.74) ALDH1A1GAACYP19A1TSHRPOLB

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 ALDH1A1 1988/4885GAA 1920/4885CYP19A1 2765/4885

“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.