SCHEMBL5896745

SCHEMBL5896745

CCC1CCC(C(=O)OC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
BRD4 O60885 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL11770967 0.86 FKBP1A (0.36) CYP1A2HIF1AALDH1A1KMT2AHTT
SCHEMBL11674366 0.84 ALDH1A1 (0.45) GAAALDH1A1KMT2AKDM4EMAPT
SCHEMBL13882832 0.82 CYP1A2 (0.46) CYP1A2HIF1ABRD4CHRNB2CHRNA4
SCHEMBL11652834 0.80 CYP1A2 (0.34) CYP1A2HIF1AGAAALDH1A1KMT2A
SCHEMBL8468246 0.76 FAAH (0.32) CYP1A2HIF1A
SCHEMBL8468245 0.75 ALDH1A1 (0.42) CYP1A2HIF1ABRD4ALDH1A1HTT
SCHEMBL11059896 0.75 ALDH1A1 (0.36) CYP1A2HIF1ABRD4GAAALDH1A1
SCHEMBL5346726 0.75 CYP1A2 (0.41) CYP1A2HIF1ABRD4CHRNB2CHRNA4
SCHEMBL3974812 0.74 CYP1A2 (0.43) CYP1A2HIF1ABRD4ALDH1A1SMN1; SMN2
SCHEMBL11055929 0.74 BRD4 (0.33) CYP1A2HIF1ABRD4CHRNB2CHRNA4

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 5 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
US-3969408-A PERFUME KOBAYASHI PERFUMERY CO., LTD. (JA) 1976-07-13 US disclosed
US-3963781-A Method of preparing 2-hydroxy-3-alkyl-2-cyclopenten-1-one KOBAYASHI PERFUMERY CO., LTD. (JA) 1976-06-15 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-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 CYP1A2 296/4885HIF1A 2117/4885BRD4 4003/4885

“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.