SCHEMBL20025835

SCHEMBL20025835

c1ccc2cc(C(C3C4=C5CCC(=C3CC4)C5)(C3C4=C5CCC(=C3CC4)C5)N3CCOCC3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.36
PRKDC P78527 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
AKR1C3 P42330 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL20025834 0.75 ICMT (0.43) ICMTPRKDCMEN1KMT2APKM
SCHEMBL20025839 0.69 CYP2D6 (0.31) MEN1KMT2ATSHRSMN1; SMN2CYP1A2
SCHEMBL15399429 0.69 MEN1 (0.40) ICMTPRKDCMEN1KMT2APKM
SCHEMBL16158187 0.61 AKR1C3 (0.51) TSHRAKR1C3ALDH1A1KDM4EMAPT
SCHEMBL4745958 0.60 AKR1C3 (0.69) PRKDCMEN1KMT2APKMTSHR
SCHEMBL435727 0.57 LMNA (0.48) MEN1KMT2AALDH1A1SMN1; SMN2CYP2D6
SCHEMBL8904963 0.57 LMNA (0.48) MEN1KMT2AALDH1A1SMN1; SMN2CYP2D6
Anthracene SCHEMBL1255911 0.57 ALDH1A1 (0.44) PRKDCMEN1KMT2APKMTSHR
SCHEMBL25339334 0.56 SLC6A4 (0.51) ICMTKDM4ECYP2D6
SCHEMBL21154120 0.56 MAPT (0.59) PRKDCMEN1KMT2APKMTSHR

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 4218/4885PRKDC 4774/4885MEN1 4593/4885

“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.