SCHEMBL4172046

SCHEMBL4172046

COc1cccc(/C=C/c2cccc(CCCN3C(=O)c4ccccc4C3=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.55
HTR1A P08908 4/20 0.52
NR1H2 P55055 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
HEXA P06865 1/20 0.46
HEXB P07686 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4172051 1.00 NR1H3 (0.55) NR1H3HTR1ANR1H2MEN1KMT2A
SCHEMBL8801774 0.89 NR1H2 (0.62) NR1H3HTR1ANR1H2MEN1KMT2A
SCHEMBL4165347 0.86 ALDH1A1 (0.46) HTR1AMEN1KMT2ALMNATDP1
SCHEMBL4165354 0.86 ALDH1A1 (0.46) HTR1AMEN1KMT2ALMNATDP1
SCHEMBL4175183 0.85 NR1H3 (0.49) NR1H3HTR1ANR1H2MEN1KMT2A
SCHEMBL4175190 0.85 NR1H3 (0.49) NR1H3HTR1ANR1H2MEN1KMT2A
SCHEMBL4178238 0.83 TDP1 (0.50) NR1H3HTR1AMEN1KMT2AMAPT
SCHEMBL4178229 0.83 TDP1 (0.50) NR1H3HTR1AMEN1KMT2AMAPT
SCHEMBL4170153 0.83 ACHE (0.56) MEN1KMT2AMAPTLMNATDP1
SCHEMBL4171946 0.83 ACHE (0.56) MEN1KMT2AMAPTLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 (8 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 NR1H3 1143/4885HTR1A 1398/4885NR1H2 497/4885
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 NR1H3 1143/4885HTR1A 1398/4885NR1H2 497/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 NR1H3 1143/4885HTR1A 1398/4885NR1H2 497/4885
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 NR1H3 1143/4885HTR1A 1398/4885NR1H2 497/4885
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 NR1H3 1143/4885HTR1A 1398/4885NR1H2 497/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 NR1H3 1143/4885HTR1A 1398/4885NR1H2 497/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 NR1H3 1143/4885HTR1A 1398/4885NR1H2 497/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 NR1H3 1143/4885HTR1A 1398/4885NR1H2 497/4885

“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.