SCHEMBL3665655

SCHEMBL3665655

COC(=O)CCOB(OCCC(=O)OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
AKT1 P31749 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESRRB O95718 1/20 0.41
TSHR P16473 2/20 0.41
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3665656 0.85 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EAKT1MAPT
SCHEMBL1811389 0.73 RAB9A (0.59) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL31697479 0.72 KIF11 (0.50) ALDH1A1LMNAKDM4EAKT1MAPT
SCHEMBL7796509 0.71 MEN1 (0.42) ALDH1A1LMNAKDM4EKMT2ACA7
SCHEMBL28134943 0.71 CA12 (0.47) ALDH1A1LMNAKDM4EAKT1MAPT
SCHEMBL8077097 0.70 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EAKT1HTT
SCHEMBL16672747 0.69 CA12 (0.55) ALDH1A1LMNAKDM4ECA12CA7
SCHEMBL11266803 0.69 AKT1 (0.47) ALDH1A1LMNAKDM4EAKT1MAPT
SCHEMBL3289446 0.68 PCSK9 (0.52) ALDH1A1LMNAKDM4EKMT2AHTT
Methyl 3-Phenylpropanoate SCHEMBL168711 0.68 TDP1 (0.68) ALDH1A1LMNAKDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 ALDH1A1 1743/4885LMNA 1156/4885KDM4E 2766/4885

“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.