SCHEMBL6072058

SCHEMBL6072058

O=C(O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
CDC7 O00311 1/20 0.46
POLB P06746 1/20 0.46
PTGER4 P35408 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
CYP19A1 P11511 6/20 0.42
TSHR P16473 1/20 0.41
GRM2 Q14416 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 2/20 0.40
TACR1 P25103 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL4638473 0.91 ALDH1A1 (0.65) ALDH1A1GAAPOLBPTGER4CYP19A1
SCHEMBL4637749 0.88 ALDH1A1 (0.53) ALDH1A1GAAPOLBCYP19A1TSHR
Hydrochloric Acid SCHEMBL5794894 0.87 ALDH1A1 (0.52) ALDH1A1GAAPOLBCYP19A1TSHR
SCHEMBL4638506 0.84 ALDH1A1 (0.47) ALDH1A1GAAPOLBCYP19A1TSHR
SCHEMBL14144376 0.82 CYP1A1 (0.46) ALDH1A1GAACDC7POLBCYP19A1
SCHEMBL4706967 0.82 POLB (0.50) ALDH1A1GAAPOLBPTGER4TACR1
SCHEMBL4706776 0.82 ALDH1A1 (0.54) ALDH1A1GAAPOLBPTGER4CYP19A1
SCHEMBL4637742 0.82 ALDH1A1 (0.52) ALDH1A1GAAPOLBCYP19A1TSHR
SCHEMBL4638482 0.82 ALDH1A1 (0.44) ALDH1A1GAACDC7POLBPTGER4
SCHEMBL6071885 0.79 ALDH1A1 (0.45) ALDH1A1GAAPOLBPTGER4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 ALDH1A1 1815/4885GAA 1942/4885CDC7 2735/4885

“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.