SCHEMBL3356721

SCHEMBL3356721

CCCOC1CCC(OC(=O)c2ccc(C=CC(=O)O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ESR1 P03372 5/20 0.42
ESR2 Q92731 4/20 0.42
PGR P06401 2/20 0.42
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
SRD5A2 P31213 1/20 0.39
MEN1 O00255 1/20 0.39
MAOB P27338 2/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
AKR1B10 O60218 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
SCHEMBL3356718 1.00 KDM4E (0.43) KDM4EESR1ESR2PGRTHRB
SCHEMBL3355236 0.93 ABCG2 (0.44) KDM4EESR1ESR2PGRTHRB
SCHEMBL3355231 0.93 ABCG2 (0.44) KDM4EESR1ESR2PGRTHRB
SCHEMBL3358105 0.92 ALDH1A1 (0.42) KDM4EESR1ESR2PGRTHRB
SCHEMBL3358108 0.92 ALDH1A1 (0.42) KDM4EESR1ESR2PGRTHRB
SCHEMBL3361426 0.91 ESR1 (0.45) KDM4EESR1ESR2PGRTHRB
SCHEMBL3361420 0.91 ESR1 (0.45) KDM4EESR1ESR2PGRTHRB
SCHEMBL3360875 0.91 ALDH1A1 (0.42) KDM4EESR1ESR2PGRTHRB
SCHEMBL3360871 0.91 ALDH1A1 (0.42) KDM4EESR1ESR2PGRTHRB
SCHEMBL3357841 0.91 ALDH1A1 (0.42) KDM4EESR1ESR2PGRTHRB

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 KDM4E 1369/4885ESR1 3492/4885ESR2 4133/4885
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 KDM4E 1369/4885ESR1 3492/4885ESR2 4133/4885

“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.