SCHEMBL23910015

SCHEMBL23910015

Nc1ccc(-c2cc(F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.61
RXRA P19793 5/20 0.55
RXRB P28702 5/20 0.55
RXRG P48443 4/20 0.55
TAAR1 Q96RJ0 2/20 0.50
PGR P06401 1/20 0.43
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 2/20 0.39
HSD17B10 Q99714 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL4092202 0.88 KIF11 (0.71) KIF11RXRARXRBRXRGTAAR1
SCHEMBL3785139 0.84 KIF11 (0.65) KIF11RXRARXRBRXRGTAAR1
SCHEMBL2320384 0.81 TAAR1 (0.64) KIF11TAAR1PGRCYP3A4TDP1
SCHEMBL5123246 0.80 RXRA (0.58) KIF11RXRARXRBRXRGPGR
SCHEMBL25546726 0.79 KIF11 (0.59) KIF11RXRARXRBRXRGCYP3A4
SCHEMBL19331992 0.77 RXRA (0.57) KIF11RXRARXRBRXRGCYP3A4
SCHEMBL3787835 0.77 TAAR1 (0.59) KIF11TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL28135885 0.77 KIF11 (0.61) KIF11RXRARXRBRXRGPGR
SCHEMBL2655246 0.77 KIF11 (1.00) KIF11CYP3A4TDP1ALDH1A1TP53
SCHEMBL18001905 0.77 RXRA (0.55) KIF11RXRARXRBRXRGPGR

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 KIF11 3016/4885RXRA 1802/4885RXRB 1753/4885

“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.