SCHEMBL280013

SCHEMBL280013

CCCCCc1cc(O)c2c3c(c(=O)oc2c1)CCC1(C3)OCCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
CNR1 P21554 7/20 0.42
CNR2 P34972 7/20 0.42
GPR55 Q9Y2T6 1/20 0.40
ABCB1 P08183 1/20 0.37
TRPV1 Q8NER1 3/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 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
SCHEMBL279390 0.81 ALDH1A1 (0.39) ALDH1A1MAPTGAAHTTTSHR
SCHEMBL274753 0.81 ALDH1A1 (0.72) ALDH1A1MAPTGAAHTTTSHR
SCHEMBL11603069 0.76 ALDH1A1 (0.61) ALDH1A1MAPTGAAHTTTSHR
SCHEMBL11736088 0.75 ALDH1A1 (0.67) ALDH1A1MAPTGAAHTTTSHR
SCHEMBL11760641 0.75 ALDH1A1 (0.63) ALDH1A1MAPTGAAHTTTSHR
Hydrochloric Acid SCHEMBL11739109 0.74 ALDH1A1 (0.66) ALDH1A1MAPTGAAHTTTSHR
SCHEMBL11834833 0.74 ALDH1A1 (0.56) ALDH1A1MAPTGAAHTTTSHR
SCHEMBL11738042 0.73 ALDH1A1 (0.61) ALDH1A1MAPTGAAHTTTSHR
SCHEMBL11739818 0.72 ALDH1A1 (0.60) ALDH1A1MAPTGAAHTTTSHR
SCHEMBL11738683 0.72 ALDH1A1 (0.60) ALDH1A1MAPTGAAHTTTSHR

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-8133887-B2 Oxaphenanthrene derivatives MERCK PATENT GMBH (DE) 2012-03-13 US disclosed
US-20080312224-A1 Oxaphenanthrene Derivatives MERCK PATENT GMBH (DE) 2008-12-18 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-20080312224-A1 Oxaphenanthrene Derivatives CYP3A43, CYP1A1, CYP1A2 ALDH1A1 347/4885MAPT 2738/4885GAA 2263/4885

“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.