SCHEMBL31741019

SCHEMBL31741019

Clc1cc(Cl)c2c(c1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 3/20 0.35
RECQL P46063 3/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2A P28223 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 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
SCHEMBL15129334 1.00 ADRA2A (0.40) ADRA2ABCHEACHEGRIN1GRIN2A
SCHEMBL156631 0.79 MEN1 (0.37) BCHEACHEGRIN1GRIN2AMAPT
SCHEMBL8897881 0.77 MEN1 (0.40) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL2264771 0.77 AR (0.37) BCHEACHEGRIN1GRIN2AMAPT
SCHEMBL3290576 0.77 BCL2L1 (0.42) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL15661154 0.76 PGR (0.37) PGR
SCHEMBL23652713 0.74 MEN1 (0.41) BCHEACHEGRIN1GRIN2AMAPT
SCHEMBL30106771 0.74 SMN1; SMN2 (0.43) ALDH1A1MAPTHPGDHSD17B10TSHR
SCHEMBL19679237 0.73 BCL2L1 (0.47) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL13943180 0.73 MEN1 (0.43) ACHEALDH1A1MAPTHSD17B10HTR2C

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-20250368652-A1 MICROBIOCIDAL BICYCLIC HETEROCYCLIC CARBOXAMIDE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-12-04 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-20250368652-A1 MICROBIOCIDAL BICYCLIC HETEROCYCLIC CARBOXAMIDE DERIVATIVES CASP1, ARG2, MPO ADRA2A 2791/4885BCHE 568/4885ACHE 396/4885

“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.