SCHEMBL6632089

SCHEMBL6632089

COc1ccc([CH]O)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.70
CYP1A1 P04798 12/20 0.70
CYP1B1 Q16678 12/20 0.70
ALDH1A1 P00352 3/20 0.66
NFE2L2 Q16236 2/20 0.61
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2E1 P05181 1/20 0.58
CYP2C8 P10632 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2A6 P11509 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP4B1 P13584 1/20 0.58
CYP2B6 P20813 1/20 0.58
CYP3A5 P20815 1/20 0.58
CYP2A7 P20853 1/20 0.58
CYP3A7 P24462 1/20 0.58

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
SCHEMBL6631188 0.83 CYP1A1 (0.61) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL25706432 0.83 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL145083 0.83 CYP1A2 (0.76) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL1547597 0.81 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL27567539 0.80 CYP1A2 (0.66) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL96291 0.79 ALDH1A1 (1.00) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL9545111 0.79 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL11108516 0.79 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL30411244 0.79 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL7003172 0.79 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471178-A Process for preparing radiolabeled peptides SIEMENS AG 2012-05-23 CN disclosed
CN-1500086-A Aminopiperidine derivatives 霍夫曼-拉罗奇有限公司 2004-05-26 CN disclosed
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP disclosed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO 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-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 CYP1A2 1693/4885CYP1A1 1994/4885CYP1B1 2146/4885

“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.