SCHEMBL5897010

SCHEMBL5897010

COC(=O)C1CCCC(c2ccc(OC(C)C)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ACACB O00763 1/20 0.37
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4136122 0.81 TP53 (0.52) POLBTSHRKDM4E
SCHEMBL4059047 0.78 TP53 (0.49) POLBTSHRKDM4E
SCHEMBL5897594 0.78 MMP1 (0.46) SMN1; SMN2PKMALDH1A1KDM4E
SCHEMBL5896818 0.72 GPBAR1 (0.48)
SCHEMBL5897596 0.72 POLB (0.45) POLBTSHRKDM4E
SCHEMBL5896882 0.72 CRBN (0.51) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL3974812 0.72 CYP1A2 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL11782843 0.71 CYP1A2 (0.38) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2775410 0.70 IDO1 (0.46) SMN1; SMN2NPC1HPGDRAB9ATSHR
SCHEMBL2775411 0.70 IDO1 (0.46) SMN1; SMN2NPC1HPGDRAB9ATSHR

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 POLB 2189/4885SMN1; SMN2 4113/4885NPC1 4505/4885

“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.