SCHEMBL17513682

SCHEMBL17513682

C=CCOC(=O)c1ccc(C(=O)OCC=C)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 3/20 0.46
SNCA P37840 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RHOA P61586 1/20 0.43
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 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
SCHEMBL28365597 0.93 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL20068188 0.91 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL16648508 0.86 CYP3A4 (0.49) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL4677464 0.85 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL6215267 0.85 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL28969438 0.81 ALDH1A1 (0.46) CYP3A4ALDH1A1TSHRMAPTHDAC4
Allyl 2-Furoate SCHEMBL1532489 0.78 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL30184248 0.77 HDAC4 (0.46) ALDH1A1TSHRHSD17B10MAPTHDAC4
SCHEMBL11497029 0.77 ALDH1A1 (0.53) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL175786 0.77 SNCA (0.67) CYP3A4ALDH1A1TSHRHSD17B10SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066174-A1 DRILLING FLUIDS CONTAINING POLYESTER POLYOLS RESINATE MATERIALS GROUP, INC. 2018-03-08 US claimed
WO-2016153866-A2 DRILLING FLUIDS CONTAINING POLYESTER POLYOLS RESINATE MATERIALS GROUP, INC. (US) 2016-09-29 WO claimed
CN-111995753-B Stimulus response membrane and preparation method thereof 吉林大学 2021-06-18 CN disclosed
CN-111995753-A Stimulus response membrane and preparation method thereof 吉林大学 2020-11-27 CN disclosed
US-10662364-B2 Drilling fluids containing polyester polyols RESINATE MATERIALS GROUP, INC. (US) 2020-05-26 US disclosed
CN-106893032-B Aryl cyclobutene 罗门哈斯电子材料有限责任公司 2020-03-31 CN disclosed
US-10030099-B2 Digestion of keratin RESINATE MATERIALS GROUP, INC. (US) 2018-07-24 US disclosed
US-20180066174-A1 DRILLING FLUIDS CONTAINING POLYESTER POLYOLS RESINATE MATERIALS GROUP, INC. 2018-03-08 US disclosed
EP-3184571-A1 ARYLCYCLOBUTENES Rohm and Haas Electronic Materials LLC (US) 2017-06-28 EP disclosed
US-20170174805-A1 ARYLCYCLOBUTENES DOW GLOBAL TECHNOLOGIES LLC (US) 2017-06-22 US disclosed
US-20170029551-A1 DIGESTION OF KERATIN RESINATE MATERIALS GROUP, INC. 2017-02-02 US disclosed
WO-2016153866-A2 DRILLING FLUIDS CONTAINING POLYESTER POLYOLS RESINATE MATERIALS GROUP, INC. (US) 2016-09-29 WO disclosed
WO-2016028841-A1 DIGESTION OF KERATIN RESINATE MATERIALS GROUP, INC. (US) 2016-02-25 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-10030099-B2 Digestion of keratin KRT18, UNG, PNMT CYP3A4 501/4885ALDH1A1 473/4885TSHR 3865/4885
US-20170029551-A1 DIGESTION OF KERATIN KRT18, UNG, PNMT CYP3A4 501/4885ALDH1A1 473/4885TSHR 3865/4885

“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.