SCHEMBL4172563

SCHEMBL4172563

CC1=C(C=Cc2cccc(N)c2)C(C)(C)CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RXRA P19793 3/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
CYP1A2 P05177 1/20 0.44
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RARG P13631 3/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
DRD3 P35462 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
PLA2G2A P14555 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
SCHEMBL4172560 1.00 CYP19A1 (0.46) CYP19A1MAOAMAOBRXRARXRB
SCHEMBL8803831 0.83 CYP1A2 (0.48) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4186194 0.83 RXRA (0.44) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4186199 0.83 RXRA (0.44) RXRARXRBRXRGCYP1A2RARA
SCHEMBL8803689 0.83 RXRA (0.44) RXRARXRBRXRGCYP1A2RARA
SCHEMBL8803139 0.83 CYP1A2 (0.48) MAOARXRARXRBRXRGCYP1A2
SCHEMBL4171195 0.83 CYP1A2 (0.45) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4171193 0.83 CYP1A2 (0.45) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4410296 0.82 RARB (0.44) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4176064 0.81 TAAR1 (0.43) RXRARXRBRXRGCYP1A2RARA

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 CYP19A1 2524/4885MAOA 1875/4885MAOB 940/4885
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CYP19A1 2524/4885MAOA 1875/4885MAOB 940/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CYP19A1 2524/4885MAOA 1875/4885MAOB 940/4885
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CYP19A1 2524/4885MAOA 1875/4885MAOB 940/4885
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CYP19A1 2524/4885MAOA 1875/4885MAOB 940/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CYP19A1 2524/4885MAOA 1875/4885MAOB 940/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 CYP19A1 2524/4885MAOA 1875/4885MAOB 940/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CYP19A1 2524/4885MAOA 1875/4885MAOB 940/4885

“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.