SCHEMBL8906117

SCHEMBL8906117

CCOC(=O)CCc1cccc(C(OCC)OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
F10 P00742 2/20 0.41
F2 P00734 1/20 0.41
SYK P43405 2/20 0.41
CYP4Z1 Q86W10 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL8801806 0.88 CYP4F2 (0.49) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL13091242 0.86 CYP4F2 (0.53) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL30967851 0.84 CYP4F2 (0.51) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL7622998 0.84 CYP4F2 (0.51) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL4425984 0.83 CYP4F2 (0.64) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL29237286 0.83 CYP4F2 (0.50) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL21901764 0.82 CYP4F2 (0.64) CYP4F2CYP4A11TDP1F10F2
SCHEMBL30750433 0.81 CYP4F2 (0.45) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL2140985 0.79 CYP4F2 (0.44) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL879289 0.79 CYP4F2 (0.58) CYP4F2CYP4A11TDP1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2016-07-07 US disclosed
US-9314467-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-04-19 US disclosed
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-08-27 US disclosed
US-20150166495-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2015-06-18 US disclosed
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2015-06-18 US disclosed
US-8653142-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-02-18 US disclosed
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2013-09-26 US disclosed
US-8420863-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-04-16 US disclosed
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2012-05-24 US disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US 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 (7 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-20150166495-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CYP4F2 4763/4885CYP4A11 3043/4885TDP1 272/4885
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CYP4F2 4763/4885CYP4A11 3043/4885TDP1 272/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CYP4F2 4763/4885CYP4A11 3043/4885TDP1 272/4885
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CYP4F2 4763/4885CYP4A11 3043/4885TDP1 272/4885
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CYP4F2 4763/4885CYP4A11 3043/4885TDP1 272/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CYP4F2 4763/4885CYP4A11 3043/4885TDP1 272/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CYP4F2 4763/4885CYP4A11 3043/4885TDP1 272/4885

“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.