SCHEMBL8892408

SCHEMBL8892408

C=CC(=O)OOC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.34
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 4/20 0.30
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NAAA Q02083 1/20 0.30

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
Hydrochloric Acid SCHEMBL27548537 0.98 EPHX1 (0.33) EPHX1CES2CES1CYP2C19
SCHEMBL27905749 0.98 EPHX1 (0.31) EPHX1TSHRALDH1A1TP53HIF1A
SCHEMBL11658796 0.78 EPHX1 (0.45) EPHX1CYP2C19CA1CA2NAAA
SCHEMBL439330 0.78 EPHX1 (0.45) EPHX1CYP2C19CA1CA2NAAA
SCHEMBL29387319 0.78 EPHX1 (0.45) EPHX1CYP2C19CA1CA2NAAA
SCHEMBL33402 0.78 EPHX1 (0.45) EPHX1CYP2C19CA1CA2NAAA
SCHEMBL437640 0.78 EPHX1 (0.45) EPHX1CYP2C19CA1CA2NAAA
SCHEMBL18823065 0.78 EPHX1 (0.45) EPHX1CYP2C19CA1CA2NAAA
SCHEMBL18823067 0.78 EPHX1 (0.45) EPHX1CYP2C19CA1CA2NAAA
SCHEMBL645382 0.78 EPHX1 (0.45) EPHX1CYP2C19CA1CA2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104342080-B Adhesive composite, circuit connection material, circuit connection structure and bonding agent sheet material 日立化成株式会社 2019-03-08 CN disclosed
CN-104342080-A Adhesive composition, circuit connecting material, circuit connection structure, and adhesive sheet HITACHI CHEMICAL CO LTD 2015-02-11 CN disclosed
US-8557888-B2 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2013-10-15 US disclosed
US-8557888-B2 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2013-10-15 US disclosed
US-20120302657-A1 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2012-11-29 US disclosed
US-20120302657-A1 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2012-11-29 US disclosed
EP-2455059-A1 Polymerisable compound having improved hardening depth Ivoclar Vivadent AG (LI) 2012-05-23 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 (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-20120302657-A1 Polymerizable compositions with improved through-curing depth NR4A2, NR2C2, NOS2 EPHX1 1478/4885CES2 2396/4885CES1 4457/4885

“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.