SCHEMBL20021994

SCHEMBL20021994

c1ccc2cc(CN3CCOCC3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
ACHE P22303 1/20 0.62
PKM P14618 1/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CHKA P35790 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MC4R P32245 1/20 0.57
MC5R P33032 1/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
NCF1 P14598 1/20 0.57
DRD4 P21917 1/20 0.54
OPRL1 P41146 1/20 0.52

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
SCHEMBL27999347 0.87 KMT2A (0.89) KMT2AACHEPKMCHKAHRH3
SCHEMBL21742928 0.85 KMT2A (0.58) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL31392631 0.84 CHKA (0.79) KMT2AACHEPKMCHKAHRH3
SCHEMBL31097161 0.84 KMT2A (0.77) KMT2AACHEPKMCHKAHRH3
SCHEMBL5195380 0.82 KMT2A (0.74) KMT2AACHEPKMCHKAALDH1A1
SCHEMBL4750742 0.82 KMT2A (1.00) KMT2AACHEPKMNPC1CHKA
SCHEMBL31010303 0.82 KMT2A (0.74) KMT2AACHEPKMCHKAALDH1A1
SCHEMBL6377576 0.81 KMT2A (0.72) KMT2AACHEPKMCHKAHRH3
Hydrochloric Acid SCHEMBL16825143 0.81 KMT2A (0.72) KMT2AACHEPKMCHKAALDH1A1
SCHEMBL22470723 0.80 HRH3 (0.54) KMT2APKMNPC1RAB9AKDM4E

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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 KMT2A 4002/4885ACHE 3920/4885PKM 4241/4885

“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.