SCHEMBL3356602

SCHEMBL3356602

C=CCC1CCC(OC(=O)c2ccc(C=CC(=O)O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
SRD5A2 P31213 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 2/20 0.38
HCAR2 Q8TDS4 2/20 0.38
CA12 O43570 1/20 0.38
AKR1B10 O60218 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
TYR P14679 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
DPP4 P27487 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL3356599 1.00 SMN1; SMN2 (0.39) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3358069 0.88 SRD5A2 (0.37) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3358075 0.88 SRD5A2 (0.37) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3356722 0.88 SNCA (0.42) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3356719 0.88 SNCA (0.42) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3355783 0.87 ALDH1A1 (0.38) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3355793 0.87 ALDH1A1 (0.38) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3360844 0.86 ALDH1A1 (0.37) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3360839 0.86 ALDH1A1 (0.37) SMN1; SMN2SRD5A2ESR1ESR2HCAR2
SCHEMBL3357942 0.86 SRD5A2 (0.41) SRD5A2ESR1ESR2HCAR2CA12

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-10208031-B2 Photocrosslinkable materials comprising alicyclic group ROLIC AG (CH) 2019-02-19 US disclosed
EP-2152660-B1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2016-05-11 EP disclosed
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2010-02-25 US disclosed
EP-2152660-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP Rolic AG (CH) 2010-02-17 EP disclosed
WO-2008145225-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2008-12-04 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 (2 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-10208031-B2 Photocrosslinkable materials comprising alicyclic group DDC, ALAD, DYNC1LI1 SMN1; SMN2 2470/4885SRD5A2 4412/4885ESR1 3492/4885
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 SMN1; SMN2 2470/4885SRD5A2 4412/4885ESR1 3492/4885

“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.