SCHEMBL3357097

SCHEMBL3357097

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 7/20 0.38
ESR2 Q92731 4/20 0.38
PGR P06401 2/20 0.38
HCAR2 Q8TDS4 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL3357092 1.00 SRD5A2 (0.40) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3358006 0.95 ALDH1A1 (0.41) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3358000 0.95 ALDH1A1 (0.41) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3356153 0.93 ALDH1A1 (0.40) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3356155 0.93 ALDH1A1 (0.40) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3357252 0.92 LSS (0.41) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3356911 0.92 LSS (0.41) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3356917 0.92 LSS (0.41) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3357248 0.92 LSS (0.41) SRD5A2ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL3356722 0.88 SNCA (0.42) SRD5A2ALDH1A1ESR1ESR2PGR

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

“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.