SCHEMBL685365

SCHEMBL685365

CCOC(=O)C[C@H]1CC[C@H](Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45
OPRM1 P35372 3/20 0.44
PPID Q08752 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL17737107 1.00 L3MBTL1 (0.59) L3MBTL1ALDH1A1CYP2C9CYP2C19HTR2B
SCHEMBL30325030 0.84 TDP1 (0.47) L3MBTL1ALDH1A1KDM4EPOLBOPRM1
SCHEMBL3577301 0.82 MEN1 (0.51) LMNAMAPTRAB9ATDP1
SCHEMBL14451443 0.82 RORC (0.48) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL25377161 0.82 TP53 (0.45) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL25377167 0.82 TP53 (0.45) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL3577297 0.82 MEN1 (0.51) LMNAMAPTRAB9ATDP1
SCHEMBL18971854 0.82 MEN1 (0.51) LMNAMAPTRAB9ATDP1
SCHEMBL5523733 0.82 L3MBTL1 (0.59) L3MBTL1ALDH1A1KDM4ELMNAPOLB
SCHEMBL180554 0.82 IDO1 (0.49) L3MBTL1ALDH1A1KDM4EMAPTTDP1

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-8841478-B2 Method for preparing trans-{4-[(alkylamino) methyl]- cyclohexyl}acetic acid ester KOWA COMPANY, LTD. (JP) 2014-09-23 US disclosed
US-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER KOWA COMPANY, LTD. (JP) 2011-11-24 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-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER ACSL6, ACSL3, ACSL1 L3MBTL1 1255/4885ALDH1A1 470/4885CYP2C9 171/4885

“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.