SCHEMBL4419210

SCHEMBL4419210

C=CC1(O)CCCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL21869877 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4417953 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4416587 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4416520 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4418854 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4416288 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL493926 1.00
SCHEMBL4416531 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL130275 0.97
SCHEMBL132084 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766007-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC (US) 2014-07-01 US disclosed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US disclosed
EP-1362023-B1 METHOD FOR PRODUCING MACROCYCLIC KETONES GIVAUDAN SA (CH) 2009-04-15 EP disclosed
US-6951964-B2 Method for producing macrocyclic ketones GIVAUDAN SA (CH) 2005-10-04 US disclosed
US-20040082816-A1 Method for producting macrocyclic ketones GIVAUDAN SA (CH) 2004-04-29 US disclosed
EP-1362023-A1 METHOD FOR PRODUCING MACROCYCLIC KETONES Givaudan SA (CH) 2003-11-19 EP disclosed
WO-2002068372-A1 METHOD FOR PRODUCING MACROCYCLIC KETONES GIVAUDAN SA (CH) 2002-09-06 WO disclosed
EP-1236707-A1 Process for the preparation of macrocyclic ketones Givaudan SA (CH) 2002-09-04 EP disclosed
US-5929298-A Process for preparing conjugated dienes using substituted rhenium trioxide EASTMAN CHEMICAL COMPANY (US) 1999-07-27 US disclosed
US-5929298-A Process for preparing conjugated dienes using substituted rhenium trioxide EASTMAN CHEMICAL COMPANY (US) 1999-07-27 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 (2 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-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C ALDH1A1 605/4885
US-20040082816-A1 Method for producting macrocyclic ketones ADH1C, ADH1A, AKR1C3 ALDH1A1 71/4885

“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.