SCHEMBL11913433

SCHEMBL11913433

COc1c(Cl)ccc(-c2nc(C(=O)O)c3c(C)cn(Cc4ccc(C)cc4)c3n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.38
▸ THRB P10828 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ P2RX7 Q99572 3/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL11913432 0.94 P2RX7 (0.36) HSP90AA1THRBRXFP1MAPTP2RX7
SCHEMBL11902559 0.94 CHRM1 (0.40) HSP90AA1P2RX7CHRM1LMNANPC1
SCHEMBL11903251 0.94 HSP90AA1 (0.38) HSP90AA1P2RX7
SCHEMBL11913429 0.89 HSD17B10 (0.34) HSP90AA1MAPTP2RX7HSD17B10ALDH1A1
SCHEMBL11903201 0.86 P2RX7 (0.39) HSP90AA1P2RX7CYP1A2
SCHEMBL11913423 0.86 HSP90AA1 (0.33) HSP90AA1MAPTHSD17B10
SCHEMBL1653978 0.85 HSD17B10 (0.32) HSP90AA1MAPTHSD17B10ALDH1A1
SCHEMBL11903393 0.83 HSP90AA1 (0.33) HSP90AA1
SCHEMBL11903292 0.83 ALDH1A1 (0.34) HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL11903195 0.82 PDE4A (0.35) MAPTHSD17B10ALDH1A1CYP1A2CYP2C9

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO HSP90AA1 853/4885THRB 1814/4885RXFP1 3980/4885

“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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