SCHEMBL3356951

SCHEMBL3356951

CCCCCCCC1CCC(OC(=O)c2ccc(/C=C/C(=O)O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ATG4B Q9Y4P1 11/20 0.38
PLA2G1B P04054 9/20 0.38
THRA P10827 1/20 0.38
THRB P10828 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
SCHEMBL3356175 1.00 ALDH1A1 (0.42) ALDH1A1HTTESR1PGRESR2
SCHEMBL3358120 1.00 ALDH1A1 (0.42) ALDH1A1HTTESR1PGRESR2
SCHEMBL3356962 1.00 ALDH1A1 (0.42) ALDH1A1HTTESR1PGRESR2
SCHEMBL3358116 1.00 ALDH1A1 (0.42) ALDH1A1HTTESR1PGRESR2
SCHEMBL3356172 1.00 ALDH1A1 (0.42) ALDH1A1HTTESR1PGRESR2
SCHEMBL3357964 0.99 ALDH1A1 (0.42) ALDH1A1HTTESR1PGRESR2
SCHEMBL3357968 0.99 ALDH1A1 (0.42) ALDH1A1HTTESR1PGRESR2
SCHEMBL25436899 0.96 ALDH1A1 (0.40) ALDH1A1HTTESR1PGRESR2
SCHEMBL3356339 0.95 ALDH1A1 (0.43) ALDH1A1HTTESR1PGRESR2
SCHEMBL3356342 0.95 ALDH1A1 (0.43) ALDH1A1HTTESR1PGRESR2

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 97/4885HTT 2266/4885ESR1 3492/4885
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 ALDH1A1 97/4885HTT 2266/4885ESR1 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.