SCHEMBL6157965

SCHEMBL6157965

C#CC(O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.52
RARB P10826 13/20 0.51
RARG P13631 13/20 0.51
RARA P10276 11/20 0.51
RXRB P28702 7/20 0.49
CYP26A1 O43174 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP26B1 Q9NR63 2/20 0.45
CRABP2 P29373 1/20 0.40
RXRG P48443 5/20 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
SCHEMBL6157083 1.00 RXRA (0.52) RXRARARBRARGRARARXRB
SCHEMBL8681351 0.80 RXRA (0.56) RXRARARBRARGRARARXRB
SCHEMBL7714824 0.80 CYP26A1 (0.51) RXRARARBRARGRARARXRB
SCHEMBL7715218 0.79 RARB (0.42) RXRARARBRARGRARARXRB
SCHEMBL7715340 0.79 RXRA (0.35) RXRARARBRARGRARARXRB
SCHEMBL3541162 0.79 RXRA (0.58) RXRARARBRARGRARARXRB
SCHEMBL7717634 0.78 RXRA (0.48) RXRARARBRARGRARARXRB
SCHEMBL1406406 0.75 RXRA (0.36) RXRARARBRARGRARARXRB
SCHEMBL7713056 0.75 RARB (0.46) RXRARARBRARGRARARXRB
Methyl Alcohol SCHEMBL7715082 0.75 RXRA (0.48) RXRARARBRARGRARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878842-B2 Process for the enantioselective synthesis of propargyl alcohol derivatives of R configuration from the racemic mixtures thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-12 US disclosed
EP-1501780-A1 PROCESS FOR THE ENANTIOSELECTIVE SYNTHESIS OF PROPARGYL ALCOHOL DERIVATIVES OF R CONFIGURATION FROM THE RACEMIC MIXTURES THEREOF Galderma Research & Development, S.N.C. (FR) 2005-02-02 EP disclosed
WO-2004032914-A2 USE OF A PROPARGYL ALCOHOL ENANTIOMER FOR THE TREATMENT OF DERMATOLOGICAL DISORDERS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-04-22 WO disclosed
US-20040049067-A1 Process for the enantioselective synthesis of propargyl alcohol derivatives of R configuration from the racemic mixtures thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-11 US disclosed
WO-2003091196-A1 PROCESS FOR THE ENANTIOSELECTIVE SYNTHESIS OF PROPARGYL ALCOHOL DERIVATIVES OF R CONFIGURATION FROM THE RACEMIC MIXTURES THEREOF GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-11-06 WO disclosed
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6313162-B1 FOR USE IN HUMAN OR VETERINARY MEDICINE SUCH AS DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHHALMOLOGICAL DISORDERS; AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) GALDERMA (FR) 2001-11-06 US disclosed
EP-0832057-B1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CT INTERNAT DE (FR) 2001-01-03 EP disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
US-6046220-A ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-04-04 US disclosed
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP disclosed
EP-0832057-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-04-01 EP disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
WO-1997033856-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed
EP-0661258-A1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP 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-20040049067-A1 Process for the enantioselective synthesis of propargyl alcohol derivatives of R configuration from the racemic mixtures thereof ADH1A, ADH5, ADH1C RXRA 898/4885RARB 547/4885RARG 718/4885

“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.