SCHEMBL3221579

SCHEMBL3221579

C#Cc1c([CH2])cccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 1/20 0.41
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL2582337 0.85 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL2641276 0.80 RAB9A (0.47) CA1CA2CA7CA9CA12
SCHEMBL16960172 0.79 MCHR1 (0.36) CA1CA2CA7CA9ALDH1A1
SCHEMBL16957045 0.77 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL16958965 0.77 MCHR1 (0.39) ALDH1A1TP53KDM4ELMNAMAPT
SCHEMBL20565891 0.76 MAPT (0.57) CA1CA2CA7CA9CA12
SCHEMBL15391492 0.76 NFE2L2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL18297721 0.73 NPC1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL16954488 0.73 LMNA (0.39) CA1CA2CA7CA9CA12
SCHEMBL3220920 0.72 CYP1A2 (0.35) CA1CA2CA7CA9ALDH1A1

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 CA1 3618/4885CA2 2193/4885CA7 4065/4885

“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.