SCHEMBL237772

SCHEMBL237772

CP(C)c1ccccc1.CP(C)c1ccccc1.CP(C)c1ccccc1.CP(C)c1ccccc1.[Pd]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 1/20 0.50
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
TSHR P16473 5/20 0.37
ACHE P22303 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CA4 P22748 2/20 0.32
TP53 P04637 1/20 0.32
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL11856585 1.00 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL6935442 1.00 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL34204 0.97
SCHEMBL8052335 0.97
SCHEMBL23243497 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL9217677 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL7540787 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
Bromide SCHEMBL8601246 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL31378077 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
Hydrochloric Acid SCHEMBL11572374 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 US disclosed
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 US disclosed
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-10188615-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2019-01-29 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
EP-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 EP disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 US disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP 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-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed
EP-0411410-B1 PROCESS FOR THE PREPARATION OF OCTADIENOLS BASF Aktiengesellschaft (DE) 1993-06-30 EP disclosed
EP-0411410-A2 Process for the preparation of octadienols BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
US-3992456-A BY REACTING BUTADIENE WITH WATER IN THE PRESENCE OF A PALLADIUM CATALYST UNION CARBIDE CORPORATION (US) 1976-11-16 US disclosed
US-3970592-A 2,7-DIMETHYL-1,4,6-OCTATRIENE, PERFUME GIVAUDAN CORPORATION (US) 1976-07-20 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 (10 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-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885CYP3A4 3720/4885ESR1 2457/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C TDP1 666/4885CYP3A4 3228/4885ESR1 3841/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 529/4885CYP3A4 3598/4885ESR1 2276/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885CYP3A4 3720/4885ESR1 2457/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885CYP3A4 3720/4885ESR1 2457/4885
US-10188615-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TDP1 499/4885CYP3A4 3720/4885ESR1 2457/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885CYP3A4 3720/4885ESR1 2457/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TDP1 499/4885CYP3A4 3720/4885ESR1 2457/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 TDP1 272/4885CYP3A4 4377/4885ESR1 2643/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TDP1 272/4885CYP3A4 4377/4885ESR1 2643/4885

“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.