SCHEMBL4166580

SCHEMBL4166580

NCCOc1cccc(/C=C/C2(O)CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.39
TLR2 O60603 4/20 0.39
FURIN P09958 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKT1 P31749 2/20 0.36
CHUK O15111 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
PHKG2 P15735 1/20 0.36
PRKACA P17612 1/20 0.36
CLK2 P49760 1/20 0.36
PRKX P51817 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL4166584 1.00 TLR4 (0.39) TLR4TLR2FURINTAAR1KDM4E
SCHEMBL4179694 0.80 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL4179689 0.80 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL4179683 0.80 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL4179693 0.80 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2CYP19A1
SCHEMBL4168767 0.79 RAB9A (0.55) ALDH1A1SMN1; SMN2
SCHEMBL4168775 0.79 RAB9A (0.55) ALDH1A1SMN1; SMN2
SCHEMBL30230160 0.76 TAAR1 (0.48) TLR4TLR2FURINTAAR1KDM4E
SCHEMBL4185690 0.75 HMGCR (0.42) TAAR1MAOA
SCHEMBL4161502 0.75 HMGCR (0.42) TAAR1MAOA

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 41 patents — showing the first 20. 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 claimed
US-20150166495-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2015-06-18 US claimed
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
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-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2016-07-07 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-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2012-05-24 US disclosed
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2012-05-24 US disclosed
CN-101686665-A styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2010-03-31 CN disclosed
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 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 (5 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 TLR4 71/4885TLR2 156/4885FURIN 4467/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 TLR4 71/4885TLR2 156/4885FURIN 4467/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TLR4 71/4885TLR2 156/4885FURIN 4467/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 TLR4 71/4885TLR2 156/4885FURIN 4467/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TLR4 71/4885TLR2 156/4885FURIN 4467/4885

“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.