SCHEMBL20025834

SCHEMBL20025834

c1ccc2cc(C(C3CCCCC3)(C3CCCCC3)N3CCOCC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.36
AKR1C3 P42330 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
PRKDC P78527 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL20025835 0.75 ICMT (0.36) ICMTMEN1KMT2AALDH1A1TSHR
SCHEMBL15399429 0.72 MEN1 (0.40) ICMTMEN1KMT2AALDH1A1TSHR
SCHEMBL16147516 0.67 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL5700726 0.65 KEAP1 (0.49) ICMT
SCHEMBL5707538 0.64 GABBR2 (0.40)
SCHEMBL16158187 0.64 AKR1C3 (0.51) ALDH1A1TSHRSMN1; SMN2AKR1C3KDM4E
SCHEMBL6896230 0.63 GABBR2 (0.45) ICMTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6896239 0.63 GABBR2 (0.45) ICMTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4745958 0.62 AKR1C3 (0.69) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL15399522 0.60 CYP2B6 (0.46) MEN1KMT2AALDH1A1TSHRKDM4E

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-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 ICMT 4218/4885MEN1 4593/4885KMT2A 4002/4885

“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.