SCHEMBL20528016

SCHEMBL20528016

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.40
AAK1 Q2M2I8 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
LIPG Q9Y5X9 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ROCK1 Q13464 1/20 0.38
LPL P06858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P4HB P07237 1/20 0.37
EGFR P00533 1/20 0.36
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CA12 O43570 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
SCHEMBL21179837 0.90 AAK1 (0.40) HIF1AAAK1CA1CA2CA9
SCHEMBL22660021 0.90 AAK1 (0.42) HIF1AAAK1CA1CA2CA9
SCHEMBL16321506 0.88 TSHR (0.46) HIF1AAAK1CA1CA2CA9
SCHEMBL21179836 0.87 HIF1A (0.40) HIF1AAAK1CA1CA2CA9
SCHEMBL16794462 0.86 NPC1 (0.43) HIF1AAAK1CA1CA2CA9
SCHEMBL12502664 0.85 HIF1A (0.48) HIF1ACA1CA2CA9LIPG
SCHEMBL25216265 0.84 CA1 (0.42) HIF1ACA1CA2CA9LIPG
SCHEMBL21179840 0.84 EPHX2 (0.44)
SCHEMBL3413800 0.83 PRMT5 (0.57) HIF1AAAK1CA1CA2CA9
SCHEMBL1290116 0.82 ROCK1 (0.54) HIF1ACA1CA2CA9LIPG

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
US-10357036-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-23 US disclosed
US-20180289007-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-11 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 (2 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 1189/4885CA1 546/4885
US-20180289007-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS DDT, ACHE, NISCH HIF1A 3221/4885AAK1 941/4885CA1 904/4885

“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.