SCHEMBL3355231

SCHEMBL3355231

CCCCOC1CCC(OC(=O)c2ccc(/C=C/C(=O)O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 2/20 0.41
PGR P06401 1/20 0.41
SRD5A2 P31213 1/20 0.40
MAOB P27338 2/20 0.39
BCHE P06276 2/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL3355236 1.00 ABCG2 (0.44) ABCG2ALDH1A1HTTTHRBATM
SCHEMBL3358105 0.97 ALDH1A1 (0.42) ABCG2ALDH1A1HTTTHRBATM
SCHEMBL3358108 0.97 ALDH1A1 (0.42) ABCG2ALDH1A1HTTTHRBATM
SCHEMBL3356919 0.95 ALDH1A1 (0.42) ABCG2ALDH1A1HTTTHRBESR1
SCHEMBL3356921 0.95 ALDH1A1 (0.42) ABCG2ALDH1A1HTTTHRBESR1
SCHEMBL3357841 0.95 ALDH1A1 (0.42) ABCG2ALDH1A1HTTTHRBESR1
SCHEMBL3360875 0.95 ALDH1A1 (0.42) ABCG2ALDH1A1HTTTHRBESR1
SCHEMBL3360871 0.95 ALDH1A1 (0.42) ABCG2ALDH1A1HTTTHRBESR1
SCHEMBL3357846 0.95 ALDH1A1 (0.42) ABCG2ALDH1A1HTTTHRBESR1
SCHEMBL3356721 0.93 KDM4E (0.43) ABCG2ALDH1A1HTTTHRBATM

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 ABCG2 3592/4885ALDH1A1 97/4885HTT 2266/4885
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 ABCG2 3592/4885ALDH1A1 97/4885HTT 2266/4885

“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.