SCHEMBL4185690

SCHEMBL4185690

NCCCc1cccc(/C=C/C2(O)CCCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.42
TAAR1 Q96RJ0 3/20 0.36
PLAU P00749 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
HTR6 P50406 1/20 0.33
MAOA P21397 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CYP2A6 P11509 1/20 0.32
HDAC4 P56524 1/20 0.32
MEF2D Q14814 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4161500 1.00 HMGCR (0.42) HMGCRTAAR1PLAUAKR1B10AKR1B1
SCHEMBL4161502 1.00 HMGCR (0.42) HMGCRTAAR1PLAUAKR1B10AKR1B1
SCHEMBL4185693 1.00 HMGCR (0.42) HMGCRTAAR1PLAUAKR1B10AKR1B1
SCHEMBL4169128 0.99 HMGCR (0.43) HMGCRTAAR1PLAUAKR1B10AKR1B1
SCHEMBL4169135 0.99 HMGCR (0.43) HMGCRTAAR1PLAUAKR1B10AKR1B1
SCHEMBL4166584 0.75 TLR4 (0.39) TAAR1MAOA
SCHEMBL4166580 0.75 TLR4 (0.39) TAAR1MAOA
SCHEMBL4170113 0.74 PNMT (0.31)
SCHEMBL4170106 0.74 PNMT (0.31)
SCHEMBL17032808 0.74 PNMT (0.40) TAAR1DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2012-05-24 US claimed
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP claimed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO claimed
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-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2015-06-18 US disclosed
US-20150166495-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 HMGCR 313/4885TAAR1 2715/4885PLAU 4393/4885
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 HMGCR 313/4885TAAR1 2715/4885PLAU 4393/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 HMGCR 313/4885TAAR1 2715/4885PLAU 4393/4885
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 HMGCR 313/4885TAAR1 2715/4885PLAU 4393/4885
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 HMGCR 313/4885TAAR1 2715/4885PLAU 4393/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 HMGCR 313/4885TAAR1 2715/4885PLAU 4393/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 HMGCR 313/4885TAAR1 2715/4885PLAU 4393/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 HMGCR 313/4885TAAR1 2715/4885PLAU 4393/4885

“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.