SCHEMBL3356321

SCHEMBL3356321

C=CCCCCCC1CCC(OC(=O)c2ccc(C=CC(=O)O)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRD5A2 P31213 1/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 2/20 0.34
HCAR2 Q8TDS4 2/20 0.34
CA12 O43570 1/20 0.34
AKR1B10 O60218 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
PKM P14618 1/20 0.34
TYR P14679 1/20 0.34
AKR1B1 P15121 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
DPP4 P27487 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3357424 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3357421 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3356314 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3360839 0.99 ALDH1A1 (0.37) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3360844 0.99 ALDH1A1 (0.37) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3355793 0.96 ALDH1A1 (0.38) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3355783 0.96 ALDH1A1 (0.38) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3358069 0.92 SRD5A2 (0.37) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3358075 0.92 SRD5A2 (0.37) ALDH1A1L3MBTL1SRD5A2ESR1ESR2
SCHEMBL3356175 0.88 ALDH1A1 (0.42) ALDH1A1ESR1ESR2THRBPGR

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 ALDH1A1 97/4885L3MBTL1 2042/4885SRD5A2 4412/4885
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 ALDH1A1 97/4885L3MBTL1 2042/4885SRD5A2 4412/4885

“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.