SCHEMBL5139554

SCHEMBL5139554

C=CCc1ccc(O)c(N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.68
GABRA1 P14867 9/20 0.66
GABRB2 P47870 9/20 0.66
ALDH1A1 P00352 6/20 0.66
GAA P10253 3/20 0.66
CNR2 P34972 3/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
CNR1 P21554 2/20 0.66
KMT2A Q03164 2/20 0.66
PPARG P37231 2/20 0.66
PPARD Q03181 2/20 0.66
HPGD P15428 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH2 P05091 1/20 0.66
AKR1B1 P15121 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ALOX5 P09917 4/20 0.56
CYP3A4 P08684 2/20 0.56
AR P10275 1/20 0.56

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
SCHEMBL7762572 0.84 XDH (0.68) XDHGABRA1GABRB2ALDH1A1GAA
SCHEMBL21076210 0.82 GABRA1 (0.79) XDHGABRA1GABRB2ALDH1A1GAA
SCHEMBL6989183 0.82 ALDH1A1 (0.51) XDHGABRA1GABRB2ALDH1A1GAA
Hydroxychavicol SCHEMBL43300 0.81 XDH (1.00) XDHGABRA1GABRB2ALDH1A1GAA
Hydroxychavicol SCHEMBL15676540 0.81 XDH (1.00) XDHGABRA1GABRB2ALDH1A1GAA
SCHEMBL8655177 0.81 XDH (0.52) XDHGABRA1GABRB2ALDH1A1GAA
Magnolol SCHEMBL132477 0.79 GABRA1 (1.00) XDHGABRA1GABRB2ALDH1A1GAA
Magnolol SCHEMBL29649179 0.79 GABRA1 (1.00) XDHGABRA1GABRB2ALDH1A1GAA
Magnolol SCHEMBL29538482 0.79 GABRA1 (1.00) XDHGABRA1GABRB2ALDH1A1GAA
SCHEMBL5907655 0.79 XDH (0.50) XDHGABRA1GABRB2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017145024-A1 UV-ABSORBING VINYLIC MONOMERS AND USES THEREOF NOVARTIS AG (CH) 2017-08-31 WO disclosed
US-20080124807-A1 Protein tagging reagents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-29 US disclosed
US-6001779-A THE MIXTURE COMPRISING AN ALKYLATED AMINOPHENOL, AND A ZINC DITHIOPHOSPHATE STABILIZERS FOR ANTI-OXIDATION, WEAR RESISTANCE CHEVRON CHEMICAL COMPANY LLC (US) 1999-12-14 US disclosed
US-6001779-A THE MIXTURE COMPRISING AN ALKYLATED AMINOPHENOL, AND A ZINC DITHIOPHOSPHATE STABILIZERS FOR ANTI-OXIDATION, WEAR RESISTANCE CHEVRON CHEMICAL COMPANY LLC (US) 1999-12-14 US disclosed
EP-0355381-B1 Silicone release coating compositions GEN ELECTRIC (US) 1994-01-05 EP disclosed
US-5138012-A Containing phenolic compounds; controlled release GENERAL ELECTRIC COMPANY (US) 1992-08-11 US disclosed
US-4952657-A ULTRAVIOLET-CURABLE POLYSILOXANES HAVING PHENOLIC AND EPOXY GROUPS; CONTROLLABLE RELEASING GENERAL ELECTRIC COMPANY (US) 1990-08-28 US disclosed
EP-0355381-A1 Silicone release coating compositions GENERAL ELECTRIC COMPANY (US) 1990-02-28 EP disclosed
US-4520099-A CONTAINING AN HYDROXYQUINOLINE AS AN ANTIFOGGING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1985-05-28 US disclosed
US-4322529-A Tertiary-alkylamine salts of azine dyestuffs CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
US-3994872-A SOLUBILITY CIBA-GEIGY CORPORATION (US) 1976-11-30 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-20080124807-A1 Protein tagging reagents TH, TPH1, TPH2 XDH 2498/4885GABRA1 1668/4885GABRB2 1219/4885

“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.