SCHEMBL3228392

SCHEMBL3228392

C#C[CH]c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
APP P05067 4/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
THRB P10828 2/20 0.43
CISD1 Q9NZ45 1/20 0.43
KDM4E B2RXH2 4/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
LMNA P02545 3/20 0.42
CA3 P07451 3/20 0.42
CYP3A4 P08684 3/20 0.42
HPGD P15428 3/20 0.42
CA4 P22748 3/20 0.42
CA5A P35218 3/20 0.42
HIF1A Q16665 3/20 0.42

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
SCHEMBL3225817 0.76 CYP2A6 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3222382 0.74 APP (0.44) ALDH1A1MAPTAPPMEN1KMT2A
SCHEMBL3227313 0.74 NFE2L2 (0.42) APPMAOBMAOAPTGS1NFE2L2
SCHEMBL3230155 0.74 CYP2A6 (0.46) ALDH1A1MAPTKDM4ECA1NPC1
SCHEMBL3227490 0.74 HSD17B10 (0.46) LMNAHSD17B10MAOBCYP1A2TRPA1
SCHEMBL334039 0.72
SCHEMBL3226191 0.72 LCK (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL12517396 0.70 HDAC6 (0.47) ALDH1A1MAPTAPPMEN1KMT2A
SCHEMBL14877351 0.70 ALDH1A1 (0.44) ALDH1A1MAPTCA1CA2LMNA
SCHEMBL3227761 0.70 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH5A1 1374/4885ABAT 1894/4885ALDH1A1 1958/4885

“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.