SCHEMBL21179836

SCHEMBL21179836

CCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.40
AAK1 Q2M2I8 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
LPL P06858 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ROCK1 Q13464 1/20 0.37
CYP3A4 P08684 2/20 0.37
P2RX7 Q99572 2/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL20528016 0.87 HIF1A (0.40) HIF1AAAK1CA1CA2CA9
SCHEMBL21179837 0.87 AAK1 (0.40) HIF1AAAK1CA1CA2CA9
SCHEMBL21179835 0.86 HIF1A (0.42) HIF1ACA1CA2CA9LIPG
SCHEMBL16321506 0.86 TSHR (0.46) HIF1AAAK1CA1CA2CA9
SCHEMBL18497263 0.85 ROCK1 (0.44) HIF1ACA1CA2CA9LIPG
SCHEMBL21179840 0.84 EPHX2 (0.44) HTTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3413800 0.81 PRMT5 (0.57) HIF1AAAK1HTTCA1CA2
SCHEMBL16881568 0.79 CA1 (0.57) HIF1ACA1CA2CA9LIPG
SCHEMBL22660021 0.77 AAK1 (0.42) HIF1AAAK1CA1CA2CA9
SCHEMBL16831556 0.77 LIPG (0.42) AAK1CA1CA2CA9LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334711-B1 DERIVATIVES OF PYRROLE, DIAZOLE, TRIAZOLE OR TETRAZOLE FOR COMBATING ARTHROPODS BAYER CROPSCIENCE AG (DE) 2020-09-23 EP disclosed
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 HIF1A 2130/4885AAK1 1189/4885HTT 175/4885

“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.