SCHEMBL3131691

SCHEMBL3131691

CCCCOc1ccc(OC(=O)C=Cc2ccc(OCCOC(=O)c3cc(N)cc(N)c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.49
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4D Q08499 1/20 0.45
APP P05067 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL3131680 1.00 ABCG2 (0.49) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3146822 0.98 ABCG2 (0.47) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3146832 0.98 ABCG2 (0.47) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3136833 0.97 ABCG2 (0.47) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3136818 0.97 ABCG2 (0.47) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3136808 0.97 ABCG2 (0.51) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3136802 0.97 ABCG2 (0.51) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3146356 0.96 ABCG2 (0.49) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3146364 0.96 ABCG2 (0.49) ABCG2SAE1UBA2LMNACYP1A2
SCHEMBL3133479 0.95 ABCG2 (0.45) ABCG2SAE1UBA2LMNACYP1A2

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
EP-1799791-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-01-13 EP disclosed
US-7687118-B2 Photocrosslinkable materials ROLIC AG (CH) 2010-03-30 US disclosed
US-20080069968-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-03-20 US disclosed
EP-1799791-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2007-06-27 EP disclosed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 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 (1 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-20080069968-A1 Photocrosslinkable Materials PARG, VSIR, IGLV6-57 ABCG2 4019/4885SAE1 2447/4885UBA2 1415/4885

“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.