SCHEMBL6396707

SCHEMBL6396707

CCCCCCCCC1C[N]CC1CCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
GBA1 P04062 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
CYP1A2 P05177 2/20 0.34
NOS3 P29474 2/20 0.34
SPHK1 Q9NYA1 4/20 0.33
SPHK2 Q9NRA0 3/20 0.33
GUSB P08236 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
SCHEMBL18685663 0.76 ALOX5 (0.65) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL18657390 0.76 ALOX5 (0.65) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL29971764 0.76 ALOX5 (0.65) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL11659426 0.76 EPHX1 (0.52) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL11662768 0.76 EPHX1 (0.52) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL6400658 0.73 CYP1A2 (0.39) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL10486372 0.73 EPHX1 (0.48) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL726033 0.73 ALOX5 (0.61) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL1573174 0.72 ALOX5 (0.50) ALDH1A1ALOX5EPHX1TSHRTHRB
SCHEMBL1437889 0.72 ALOX5 (0.50) ALDH1A1ALOX5EPHX1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494005-B1 Multicomponent agent or kit for the preparation of the sulphoconjugated forms of pyridino-, pyrimidino- or triazino-N-oxyde compounds and method of application thereof OREAL (FR) 1997-02-05 EP claimed
US-5360804-A STABILITY L'OREAL (FR) 1994-11-01 US claimed
EP-1406911-B1 6-[2-(PHOSPHONOMETHOXY)ALKOXY] PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY ACAD OF SCIENCE CZECH REPUBLIC (CZ) 2016-01-06 EP disclosed
US-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 US disclosed
US-20050038058-A1 Novel compounds and methods for therapy INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY 2005-02-17 US disclosed
US-6818633-B2 Antiviral for RNA or DNA viruses such as HIV, HBV or HSV; acyclic pyrimidine nucleoside phosphonate analogues; 2,4-diamino-6-[2-(phosphonomethoxy)ethoxy]pyrimidine; ; alkylating the 6-hydroxypyrimidine base with a dialkyl 2-chloroethoxymethylphosphonate INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2004-11-16 US disclosed
EP-1463483-A1 NEW COMPOSITION Ponsus Pharma AB (SE) 2004-10-06 EP disclosed
EP-1406911-A1 6-[2-(PHOSPHONOMETHOXY)ALKOXY]PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2004-04-14 EP disclosed
WO-2003055454-A1 NEW COMPOSITION PONSUS PHARMA AB (SE) 2003-07-10 WO disclosed
US-20030109499-A1 Novel compounds and methods for therapy INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ACADEMY OF SCIENCES 2003-06-12 US disclosed
WO-2003002580-A1 6-`2-(PHOSPHONOMETHOXY)ALKOXY PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OFTHE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-01-09 WO disclosed
EP-0187854-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO, Gail S (US) 1986-07-23 EP disclosed
WO-1986000616-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO GAIL SANSONE 1986-01-30 WO disclosed
US-4393065-A INCREASED PRODUCTIVITY OF BY-PRODUCTS BY INCLUSION OF PYRIMIDINE COMPOUNDS THE UPJOHN COMPANY (US) 1983-07-12 US disclosed
US-4316901-A Animal feed and process THE UPJOHN COMPANY (US) 1982-02-23 US disclosed
US-4315930-A A DIAMINO-TRIAZINE-3-OXIDE THE UPJOHN COMPANY (US) 1982-02-16 US disclosed
EP-0042669-A2 Compounds and compositions for use in animal feeds THE UPJOHN COMPANY (US) 1981-12-30 EP disclosed
US-4308271-A PYRIMIDINE OXIDE DERIVATIVES TO INCREASE PRODUCTION THE UPJOHN COMPANY (US) 1981-12-29 US disclosed
US-4307093-A INCREASING PRODUCTION USING OXATRIAZINES THE UPJOHN COMPANY (US) 1981-12-22 US disclosed
US-4282228-A Animal feed and process THE UPJOHN COMPANY (US) 1981-08-04 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-20050038058-A1 Novel compounds and methods for therapy ZC3HAV1, IFNAR1, EIF2AK2 ALDH1A1 2417/4885ALOX5 4337/4885EPHX1 1245/4885
US-20050049232-A1 Composition CUTA, LIPG, LIPA ALDH1A1 1751/4885ALOX5 165/4885EPHX1 1787/4885
US-20030109499-A1 Novel compounds and methods for therapy IFNAR1, ZC3HAV1, EIF2AK2 ALDH1A1 1605/4885ALOX5 4303/4885EPHX1 1415/4885

“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.