SCHEMBL1446331

SCHEMBL1446331

COCOc1ccccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NISCH Q9Y2I1 1/20 0.46
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11108872 0.90 KMT2A (0.51) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL2046121 0.84 KMT2A (0.49) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL10224215 0.82 L3MBTL1 (0.58) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL31692849 0.82 L3MBTL1 (0.36) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL254754 0.81 ALDH1A1 (0.54) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL18309270 0.81 L3MBTL1 (0.60) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL10224229 0.81 L3MBTL1 (0.65) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL8974440 0.80 KCNN2 (0.40) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL19445344 0.80 PPARG (0.42) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL30741241 0.80 CA12 (0.48) L3MBTL1CYP1A2LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2015-07-23 US disclosed
EP-1724013-B1 ASYMMETRIC REACTION CATALYST AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS WITH THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2015-01-28 EP disclosed
US-7910762-B2 mixing a pentavalent niobium compound and a tetraol having an optically active binapthol; catalysts for the following asymmetric reactions: Mannich, epoxide ring opening, allylation, cyanation, and alkylation; reacting silicon enolate with imine to form beta-aminocarbonyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-22 US disclosed
US-7667078-B2 Asymmetric reaction catalyst and method for preparing optically active compound using the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-23 US disclosed
US-20100029968-A1 ASYMMETRIC REACTION CATALYST AND METHOD FOR PREPARING OPTICALLY ACTIVE COMPOUND USING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-04 US disclosed
CN-101189248-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-28 CN disclosed
US-20070265472-A1 Asymmetric Reaction Catalyst and Method for Preparing Optically Active Compound Using the Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-11-15 US disclosed
EP-1724013-A1 ASYMMETRIC REACTION CATALYST AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS WITH THE SAME Japan Science and Technology Agency (JP) 2006-11-22 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 (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-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF DPYD, TYMP, RRM2B KMT2A 2312/4885MEN1 3121/4885L3MBTL1 3892/4885
US-20100029968-A1 ASYMMETRIC REACTION CATALYST AND METHOD FOR PREPARING OPTICALLY ACTIVE COMPOUND USING THE SAME SQLE, DNTT, TDO2 KMT2A 1430/4885MEN1 1520/4885L3MBTL1 3698/4885
US-20070265472-A1 Asymmetric Reaction Catalyst and Method for Preparing Optically Active Compound Using the Same SQLE, TDO2, DNTT KMT2A 1220/4885MEN1 665/4885L3MBTL1 3179/4885

“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.