SCHEMBL5897196

SCHEMBL5897196

NNC(=O)[C@H]1CCC[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.32
PEPD P12955 1/20 0.32
EPHX1 P07099 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL5896981 1.00 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL8410294 1.00 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5897200 1.00 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5896984 1.00 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5896975 1.00 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5897120 0.95 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL8408707 0.95 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5897128 0.95 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5897133 0.95 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL3623530 0.80 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038087-B2 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-02 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 EP 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-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 ALDH1A1 22/4885PSEN1 4516/4885PSEN2 4784/4885

“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.