SCHEMBL2575275

SCHEMBL2575275

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP2C19 P33261 1/20 0.50
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL8782958 0.84 ALDH1A1 (0.44) ALDH1A1CYP2C19
SCHEMBL8403281 0.84 ALDH1A1 (0.44) ALDH1A1CYP2C19
SCHEMBL8528064 0.84 ALDH1A1 (0.44) ALDH1A1CYP2C19THRB
SCHEMBL751715 0.78 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL9927173 0.78 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL754899 0.78 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL48154 0.76
SCHEMBL22975 0.76
Ammonia Solution, Strong SCHEMBL5901473 0.73
SCHEMBL1245809 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113073346-B Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products 万华化学集团股份有限公司 2022-04-22 CN disclosed
CN-113073346-A Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products 万华化学集团股份有限公司 2021-07-06 CN disclosed
US-8318795-B2 Antioxidant polymers containing [1,2]-dithiolane moieties and uses thereof CEDARS-SINAI MEDICAL CENTER (US) 2012-11-27 US disclosed
US-8318795-B2 Antioxidant polymers containing [1,2]-dithiolane moieties and uses thereof CEDARS-SINAI MEDICAL CENTER (US) 2012-11-27 US disclosed
US-8048970-B2 Low viscosity oligomer polyol; reacting melamine-formaldehyde resin with diol in presenvc eof acid catalyst; reduced volatile organic compounds; wea rresistance AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2011-11-01 US disclosed
US-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2010-04-22 US disclosed
US-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2010-04-22 US disclosed
EP-1922347-B1 MELAMINE POLYOLS AND COATINGS THEREOF AKZO NOBEL COATINGS INT BV (NL) 2009-03-25 EP disclosed
WO-2008107395-A1 WATER BORNE SOFT-FEEL COATING COMPOSITION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2008-09-12 WO disclosed
US-20080207850-A1 Melamine Polyols and Coatings Thereof AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2008-08-28 US disclosed
EP-1922347-A1 MELAMINE POLYOLS AND COATINGS THEREOF Akzo Nobel Coatings International BV (NL) 2008-05-21 EP disclosed
WO-2007028792-A1 MELAMINE POLYOLS AND COATINGS THEREOF AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2007-03-15 WO disclosed
US-20070055026-A1 Melamine polyols and coatings thereof AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2007-03-08 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 (1 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-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF GPX1, GPX4, LPO ALDH1A1 172/4885CYP2C19 2931/4885THRB 4328/4885

“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.