SCHEMBL4158833

SCHEMBL4158833

COc1ccc([C](c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.71
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
RELA Q04206 1/20 0.56
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
NR1I2 O75469 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50

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
SCHEMBL41021 0.90 CA1 (0.65) ALDH1A1SMN1; SMN2HPGDCES2CES1
SCHEMBL12399066 0.86 ACHE (0.71) ACHENPC1RAB9AALDH1A1SMN1; SMN2
Methyl Alcohol SCHEMBL20136156 0.85 ACHE (0.88) ACHENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13925529 0.84
SCHEMBL19182839 0.84 ACHE (1.00) ACHENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12464 0.84
SCHEMBL2758528 0.82 LMNA (0.70) ACHENPC1RAB9AALDH1A1HPGD
SCHEMBL8392489 0.82 ACHE (0.65) ACHENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17962460 0.82 ACHE (0.65) ACHENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL758577 0.82 LMNA (0.70) ACHENPC1RAB9AALDH1A1HPGD

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-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 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-20090182135-A1 Amino modifiers BCAT2, AADAT, BCAT1 ACHE 1503/4885NPC1 4450/4885RAB9A 2724/4885

“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.