SCHEMBL5146697

SCHEMBL5146697

FC(F)(F)c1ccc([C]2CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.50
PTGS2 P35354 2/20 0.49
PTGS1 P23219 1/20 0.49
CYP1A2 P05177 1/20 0.44
NISCH Q9Y2I1 1/20 0.41
GALR1 P47211 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
WNT3A P56704 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL5147795 0.95 KIF11 (0.50) KIF11PTGS2PTGS1CYP1A2NISCH
SCHEMBL5146537 0.93 KIF11 (0.48) KIF11PTGS2PTGS1CYP1A2NISCH
SCHEMBL1847395 0.90 KIF11 (0.54) KIF11PTGS2PTGS1NISCHALDH1A1
SCHEMBL5144847 0.76 FGF23 (0.47) KIF11NISCHALDH1A1TSHR
SCHEMBL15561965 0.76 RXRA (0.38) PTGS2PTGS1CYP1A2
SCHEMBL13410633 0.76 KIF11 (0.78) KIF11ALDH1A1TSHRMAOB
SCHEMBL29914837 0.76 KIF11 (0.78) KIF11ALDH1A1TSHRMAOB
SCHEMBL197238 0.76 KIF11 (0.78) KIF11ALDH1A1TSHRMAOB
SCHEMBL2532289 0.74 HTR2C (0.50) GALR1TSHRMAOB
SCHEMBL8355638 0.73 ASIC3 (0.46) KIF11NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623425-B Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2021-05-14 CN disclosed
CN-108623425-A Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2018-10-09 CN disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 KIF11 862/4885PTGS2 3165/4885PTGS1 2633/4885

“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.