SCHEMBL3227308

SCHEMBL3227308

C#Cc1cc(F)ccc1[CH2]

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL310301 0.77 TRPV4 (0.38) ALDH1A1CYP1A2
SCHEMBL718612 0.76 CA3 (0.42) AHRCA3CA6CA5ACA9
SCHEMBL3227489 0.73 TP53 (0.33) AHRALDH1A1CYP2A6
SCHEMBL9939598 0.73 ACHE (0.35) AHRCA3CA6CA5ACA9
SCHEMBL3228386 0.73 ESR1 (0.39) CA3CA5ACA9CA14CA5B
SCHEMBL24869692 0.73 PKM (0.31) AHRCA3CA6CA5ACA9
SCHEMBL3222376 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9938159 0.73 PGK1 (0.36) AHRCA3CA6CA5ACA9
SCHEMBL22134762 0.73 ALDH1A1 (0.50) AHRCA3CA6CA5ACA9
SCHEMBL3225810 0.73 CYP2A6 (0.30) AHRCYP2A6

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-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 — — 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 AHR 977/4885CA3 1793/4885CA6 3708/4885

“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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