SCHEMBL7110975

SCHEMBL7110975

C=CCc1ccc(CC=C)c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.52
GABRA1 P14867 9/20 0.50
GABRB2 P47870 9/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
CNR2 P34972 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.50
CNR1 P21554 2/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH2 P05091 1/20 0.50
AKR1B1 P15121 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX5 P09917 5/20 0.47
POLB P06746 1/20 0.47
GABRB1 P18505 1/20 0.47

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
SCHEMBL2050350 0.87 XDH (0.54) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL9999649 0.82 XDH (0.66) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL7846085 0.82 XDH (0.48) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL29172017 0.81 XDH (0.48) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL19248511 0.81 XDH (0.48) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL4678573 0.81 XDH (0.48) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL8257640 0.78 GABRA1 (0.40) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL14693998 0.78 GABRA1 (0.45) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL821126 0.78 GABRA1 (0.72) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL1006107 0.78 XDH (0.70) XDHGABRA1GABRB2ALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2018-04-05 US disclosed
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2017-08-17 US disclosed
EP-1340271-A2 BROADBAND LIGHT-EMITTING POLYMERIC DIODES (PLED) FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2003-09-03 EP disclosed
WO-2002045185-A2 BROADBAND LIGHT-EMITTING POLYMERIC DIODES (PLED) Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2002-06-06 WO disclosed
US-4801735-A LEUKOTRIENE INHIBITORS LILLY INDUSTRIES LIMITED (GB) 1989-01-31 US disclosed
EP-0183532-A2 Pharmaceutical compounds Lilly Industries Limited (GB) 1986-06-04 EP 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-20180093939-A9 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS XDH 1936/4885GABRA1 4311/4885GABRB2 3588/4885
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS XDH 1936/4885GABRA1 4311/4885GABRB2 3588/4885

“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.