SCHEMBL18002106

SCHEMBL18002106

CCOc1cc(C=O)cc(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.47
▸ RXRB P28702 2/20 0.47
▸ RXRG P48443 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KIFC1 Q9BW19 2/20 0.41
▸ ICMT O60725 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ ATM Q13315 1/20 0.38

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
SCHEMBL18002757 0.83 POLB (0.43) ALDH1A1POLBL3MBTL1MAPTGRIN1
SCHEMBL18002212 0.83 L3MBTL1 (0.43) ALDH1A1POLBL3MBTL1RORCMAPT
SCHEMBL18002394 0.82 CHRNB2 (0.50) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL18002510 0.81 RXRA (0.47) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL18002174 0.81 DRD1 (0.57) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL26683072 0.80 RXRA (0.45) RXRARXRBALDH1A1MAPTGAA
SCHEMBL21945038 0.80 RXRA (0.50) RXRARXRBRXRGALDH1A1POLB
SCHEMBL18002087 0.78 PTPN5 (0.46) ALDH1A1POLBL3MBTL1MAPTMAPK1
SCHEMBL18002582 0.78 MAPK1 (0.45) RXRARXRBRXRGALDH1A1POLB
SCHEMBL16398658 0.76 KIF11 (0.41) RXRARXRBRXRGALDH1A1POLB

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-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 RXRA 3077/4885RXRB 2771/4885RXRG 3206/4885

“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.

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