SCHEMBL5896648

SCHEMBL5896648

CCCCOC(=O)C1CCC(c2ccc(C)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
CRBN Q96SW2 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 3/20 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
SCHEMBL5896882 0.80 CRBN (0.51) HPGDCRBNKDM4ENPC1
SCHEMBL360491 0.77 TSHR (0.50) L3MBTL1KDM4EHSD17B10MEN1KMT2A
SCHEMBL513358 0.75 HSD17B10 (0.50) HPGDKDM4EMAPK1HSD17B10MEN1
SCHEMBL14967520 0.70 TSHR (0.60) L3MBTL1HPGDATMMAPK1HSD17B10
SCHEMBL5896950 0.69 TLR4 (0.49) L3MBTL1MEN1KMT2A
SCHEMBL5897119 0.68 CHRM2 (0.53) L3MBTL1HPGDATMKDM4EMAPK1
SCHEMBL7823966 0.68 ALDH1A1 (0.45) L3MBTL1HPGDATMKDM4EMAPK1
SCHEMBL512576 0.68 TSHR (0.52) L3MBTL1HPGDCRBNKDM4EMAPK1
SCHEMBL10113180 0.68 HSD17B10 (0.77) L3MBTL1HSD17B10MEN1KMT2A
Acetic Acid Butyl Ester SCHEMBL3182016 0.67 ALDH1A1 (0.72) L3MBTL1HPGDATMMAPK1HSD17B10

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 L3MBTL1 2538/4885HPGD 531/4885ATM 4142/4885

“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.