SCHEMBL6112844

SCHEMBL6112844

O=C1CCCCc2c1ccc(O)c2O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
EGFR P00533 1/20 0.43
MAOA P21397 4/20 0.43
MAOB P27338 1/20 0.43
PRKCI P41743 1/20 0.43
PSMB5 P28074 1/20 0.43
HSD17B1 P14061 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
APEX1 P27695 2/20 0.38
RECQL P46063 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL6112997 1.00 ACHE (0.53) ACHEEGFRMAOAMAOBPRKCI
SCHEMBL9521410 0.96 ACHE (0.53) ACHEEGFRMAOAMAOBPRKCI
SCHEMBL1535917 0.88 ACHE (0.56) ACHEEGFRMAOAMAOBPRKCI
SCHEMBL29600536 0.81 MAOA (0.47) MAOAMAOBPRKCIHSD17B1KDM4E
SCHEMBL19132606 0.81 HSD17B1 (0.41) ACHEMAOAMAOBPRKCIPSMB5
SCHEMBL24362726 0.81 MAOA (0.47) MAOAMAOBPRKCIHSD17B1KDM4E
SCHEMBL24362691 0.81 MAOA (0.44) ACHEMAOAMAOBPRKCIPSMB5
SCHEMBL9827612 0.79 PSMB5 (0.41) ACHEEGFRMAOAMAOBPRKCI
SCHEMBL23783031 0.77 MAOA (0.44) ACHEMAOAMAOBPRKCIHSD17B1
SCHEMBL3987533 0.77 MAOA (0.44) ACHEMAOAMAOBPRKCIPSMB5

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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 ACHE 3337/4885EGFR 545/4885MAOA 496/4885

“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.