SCHEMBL4179693

SCHEMBL4179693

CC(CN)Oc1cccc(C=CC2(O)CCCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPOR P19235 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL4179694 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2EPORGRIK1
SCHEMBL4179689 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2EPORGRIK1
SCHEMBL4179683 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2EPORGRIK1
SCHEMBL8912426 0.81 MTNR1A (0.40) ALDH1A1KDM4ESMN1; SMN2EPORHPGD
SCHEMBL4166580 0.80 TLR4 (0.39) ALDH1A1KDM4ESMN1; SMN2CYP19A1
SCHEMBL4166584 0.80 TLR4 (0.39) ALDH1A1KDM4ESMN1; SMN2CYP19A1
SCHEMBL15265812 0.77 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL4166563 0.77 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL4166570 0.77 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL3188304 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1

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-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-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
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 (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 ALDH1A1 336/4885KDM4E 3134/4885SMN1; SMN2 61/4885
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885KDM4E 3134/4885SMN1; SMN2 61/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885KDM4E 3134/4885SMN1; SMN2 61/4885
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885KDM4E 3134/4885SMN1; SMN2 61/4885
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885KDM4E 3134/4885SMN1; SMN2 61/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885KDM4E 3134/4885SMN1; SMN2 61/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885KDM4E 3134/4885SMN1; SMN2 61/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885KDM4E 3134/4885SMN1; SMN2 61/4885

“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.