SCHEMBL19088397

SCHEMBL19088397

COc1cccc(-c2c[nH]cc2C#N)c1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.43
▸ PGR P06401 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ IMPDH2 P12268 1/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33

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
SCHEMBL10517756 0.91 AR (0.33) ARPGRALDH1A1KDM4EMAPT
SCHEMBL28434131 0.86 MAPT (0.43) ARPGRALDH1A1KDM4EGAA
SCHEMBL30343622 0.79 AR (0.47) ARPGRALDH1A1GAAIMPDH2
SCHEMBL10505510 0.79 AR (0.47) ARPGRALDH1A1GAAIMPDH2
SCHEMBL13762228 0.75 AR (0.34) ARPGRALDH1A1
SCHEMBL1108455 0.70 ALDH1A1 (0.33) ARALDH1A1
SCHEMBL10516903 0.69 ADORA1 (0.50) ARPGR
SCHEMBL9422741 0.69 AR (0.43) ARPGR
SCHEMBL11937453 0.68 — —
SCHEMBL16962081 0.68 SMN1; SMN2 (0.41) ARALDH1A1KDM4EGAAMAPT

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-20170188582-A1 Agents for Combating Plant Pests BAYER AKTIENGESELLSCHAFT (DE) 2017-07-06 — — 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-20170188582-A1 Agents for Combating Plant Pests DDT, CYP51A1, AADAC AR 4574/4885PGR 4789/4885ALDH1A1 1600/4885

“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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