SCHEMBL234858

SCHEMBL234858

C#CC(O)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL20656784 0.72 ALDH1A1 (0.44) ALDH1A1CYP2C19
SCHEMBL3226761 0.71
SCHEMBL236180 0.71
SCHEMBL22810424 0.69
SCHEMBL10618617 0.67 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL11041717 0.67 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL15102143 0.65 ALDH1A1 (0.37) ALDH1A1CYP2C19
SCHEMBL15737830 0.62
SCHEMBL8629 0.62
SCHEMBL8587240 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3881048-A1 DEVICE FOR REMOVING VOLATILE ORGANIC COMPOUNDS L'etat Français Représenté Par Le Ministère De L'intérieur (FR) 2021-09-22 EP disclosed
CN-113167695-A Device for collecting volatile organic compounds 法国由内政部代表 2021-07-23 CN disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-02-12 US disclosed
US-8895782-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-11-25 US disclosed
US-5068368-A Reaction of lithium amide with acetylene and reaction with a ketone CYPRUS FOOTE MINERAL COMPANY (US) 1991-11-26 US disclosed
EP-0456972-A1 Surface modification of a polyimide International Business Machines Corporation (US) 1991-11-21 EP disclosed
US-4891069-A CATALYST FOR REDUCTION OF METAL COMPOUND BY GENERATED HYDROGEN TECHNO INSTRUMENTS INVESTMENTS 1983 LTD. (IL) 1990-01-02 US disclosed
US-4749449-A PLATING ON CATALYZED THROUGH HOLE WALL IN PATTERENED CONDUCTIVE AND INSULATING LAYERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-07 US disclosed
US-4371676-A FREE-RADICAL CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4158672-A OIL AND WATER REPELLENTS FOR TEXTILES CIBA-GEIGY CORPORATION (US) 1979-06-19 US disclosed
US-4158053-A COMPRISING ACRYLIC ESTER AND AROMATIC OLEFIN POLYMERS, QUICK-DRYING, NON-YELLOWING, NON-FLAMMABLE ELI LILLY AND COMPANY (US) 1979-06-12 US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 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 (3 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-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALDH1A1 641/4885CYP2C19 3315/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C ALDH1A1 605/4885CYP2C19 3668/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C ALDH1A1 605/4885CYP2C19 3668/4885

“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.