SCHEMBL21179839

SCHEMBL21179839

CC1(C)OB(c2ccc(F)c(CNC(=O)C3CC3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.40
PKM P14618 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
MTOR P42345 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 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
SCHEMBL21179832 0.87 POLB (0.39) ROCK1KDM4ERAB9APOLBKMT2A
SCHEMBL21179840 0.86 EPHX2 (0.44) PKMCYP2D6CYP2C19LMNATP53
SCHEMBL18497263 0.84 ROCK1 (0.44) ROCK1
SCHEMBL21179838 0.84 ROCK1 (0.46) ROCK1
SCHEMBL3212986 0.80 CA1 (0.54) KDM4EKMT2AALDH1A1HPGD
SCHEMBL18587273 0.79 ERCC1 (0.44) KDM4ERAB9APKMLMNAKMT2A
SCHEMBL553260 0.79 LIPG (0.48) KDM4ERAB9APKMPOLBLMNA
SCHEMBL3490524 0.78 PRMT5 (0.57) ROCK1
SCHEMBL31642903 0.77 KMT2A (0.54) ROCK1POLBTP53KMT2AALDH1A1
SCHEMBL14898149 0.75 ROCK1 (0.51) ROCK1

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-10357036-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-23 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-10357036-B2 Compounds for controlling arthropods DDT, ACHE, NISCH ROCK1 2733/4885KDM4E 1479/4885RAB9A 1686/4885

“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.