SCHEMBL3109985

SCHEMBL3109985

C=COc1ccccc1C(=O)c1ccccc1OC=C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 5/20 0.41
LIG1 P18858 1/20 0.41
HSD17B10 Q99714 6/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 6/20 0.37
TSHR P16473 3/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BLM P54132 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3113786 0.91 HPGD (0.45) ELANECYP3A4KDM4ELIG1HSD17B10
SCHEMBL4499103 0.89 ELANE (0.53) ELANECYP3A4KDM4EHSD17B10HPGD
SCHEMBL32687438 0.86 KDM4E (0.56) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL4209791 0.86 KDM4E (0.56) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL8608640 0.84 CYP3A4 (0.43) CYP3A4KDM4ELIG1HSD17B10HPGD
SCHEMBL28191444 0.84 KDM4E (0.58) CYP3A4KDM4EHSD17B10HPGDMAPT
SCHEMBL16710282 0.84 LMNA (0.51) CYP3A4KDM4EHSD17B10HPGDMAPT
SCHEMBL9751711 0.84 ALDH1A1 (0.44) ELANECYP3A4KDM4ELIG1HSD17B10
SCHEMBL2987534 0.82 CYP3A4 (0.42) CYP3A4KDM4ELIG1HSD17B10HPGD
SCHEMBL3961140 0.78 KDM4E (0.45) CYP3A4KDM4ELIG1HSD17B10HPGD

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-7732645-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-08 US disclosed
EP-2161248-A1 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2010-03-10 EP disclosed
US-7518021-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS IWAHAMA TAKAHIRO 2009-04-02 US disclosed
US-20040181098-A1 Aromatic vinyl ether compounds EMORY UNIVERSITY 2004-09-16 US disclosed
EP-1413568-A2 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2004-04-28 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-20040181098-A1 Aromatic vinyl ether compounds SUV39H2, SUV39H1, RAVER1 ELANE 2856/4885CYP3A4 899/4885KDM4E 87/4885
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS SUV39H2, SUV39H1, RAVER1 ELANE 2854/4885CYP3A4 934/4885KDM4E 76/4885

“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.