SCHEMBL727443

SCHEMBL727443

CCOC(=O)OC1CCCCC12OCCO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 7/20 0.35
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT1 P35610 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 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
SCHEMBL727450 0.78 ALDH1A1 (0.35) CYP2C19ALDH1A1KMT2A
SCHEMBL726257 0.76
SCHEMBL727442 0.76 ALDH1A1 (0.40) POLBCYP3A4CYP2C19MAPK1TP53
SCHEMBL3388688 0.73 KMT2A (0.35) POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL12932504 0.73
SCHEMBL12932490 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2307358 0.71 POLB (0.41) POLBCYP3A4CYP2C19MAPK1TP53
SCHEMBL9403502 0.71 ALDH1A1 (0.38) POLBCYP3A4CYP2C19MAPK1TP53
SCHEMBL605248 0.70 SLC6A4 (0.31)
SCHEMBL12932511 0.70

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-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 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-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds ADRM1, PNMT, ACMSD POLB 573/4885CYP3A4 20/4885CYP2C19 220/4885

“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.