SCHEMBL8551026

SCHEMBL8551026

CCCCCOc1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.73
TSHR P16473 1/20 0.62
KCNH2 Q12809 1/20 0.59
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH3 Q9Y5N1 5/20 0.55
KDM4E B2RXH2 2/20 0.55
FAAH O00519 1/20 0.53
LTA4H P09960 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL197632 0.94 KMT2A (0.76) KMT2ATSHRKCNH2DRD2DRD4
Methyl Alcohol SCHEMBL27541418 0.91 KMT2A (0.71) KMT2ATSHRKCNH2DRD2DRD4
Dimethylamine SCHEMBL3445328 0.89 KMT2A (0.74) KMT2ATSHRKCNH2DRD2DRD4
SCHEMBL196962 0.89 KMT2A (0.68) KMT2AKCNH2DRD2DRD4LMNA
SCHEMBL11663051 0.86 TSHR (0.72) KMT2ATSHRLTA4H
SCHEMBL9774806 0.85 DRD2 (0.60) KMT2AKCNH2DRD2DRD4LMNA
SCHEMBL6677146 0.84 TSHR (0.76) TSHRLTA4H
SCHEMBL4208924 0.84 TSHR (0.76) TSHRLTA4H
SCHEMBL17138169 0.84 TSHR (0.76) TSHRLTA4H
SCHEMBL3905859 0.84 TSHR (0.76) TSHRLTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP 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-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E KMT2A 3048/4885TSHR 1243/4885KCNH2 2/4885

“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.