SCHEMBL6403695

SCHEMBL6403695

CCCCCCCCC1CC[N]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 3/20 0.37
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
SLC22A1 O15245 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7634559 0.85 EPHX1 (0.41) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL10707537 0.85 EPHX1 (0.41) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL7636658 0.83 NOS1 (0.43) EPHX1ALDH1A1CYP1A2NOS1NOS2
SCHEMBL2106032 0.83 NOS1 (0.43) EPHX1ALDH1A1CYP1A2NOS1NOS2
SCHEMBL1691768 0.82 NOS1 (0.42) EPHX1ALDH1A1CYP1A2NOS1NOS2
SCHEMBL1168660 0.80 NOS1 (0.44) EPHX1ALDH1A1CYP1A2NOS1NOS2
SCHEMBL7569204 0.80 ALDH1A1 (0.46) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL7294415 0.77 SPHK2 (0.40) EPHX1ALDH1A1THRBNOS1NOS2
SCHEMBL6510677 0.74
SCHEMBL11346781 0.73 CYP1A2 (0.46) EPHX1ALDH1A1CYP1A2NOS1NOS2

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 17 patents. 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-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 US disclosed
EP-1463483-A1 NEW COMPOSITION Ponsus Pharma AB (SE) 2004-10-06 EP disclosed
WO-2003055454-A1 NEW COMPOSITION PONSUS PHARMA AB (SE) 2003-07-10 WO disclosed
US-5360804-A STABILITY L'OREAL (FR) 1994-11-01 US disclosed
EP-0187854-A4 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION. BAZZANO GAIL S 1987-01-22 EP 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
US-4089672-A HERBICIDES THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-4084955-A 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES THE UPJOHN COMPANY (US) 1978-04-18 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-20050049232-A1 Composition CUTA, LIPG, LIPA EPHX1 1787/4885ALDH1A1 1751/4885TSHR 2018/4885

“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.