SCHEMBL623217

SCHEMBL623217

Cc1cccc(C)c1N1[C]N(c2c(C)cccc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 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
SCHEMBL5317911 0.80 DPP4 (0.34) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL283987 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL1005413 0.74 ADRB1 (0.48) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL1005411 0.74 TSHR (0.47) ALDH1A1KMT2AKDM4EMAPTCRHBP
SCHEMBL17502571 0.73 L3MBTL1 (0.32) MAPTL3MBTL1
SCHEMBL1155762 0.68 CYP2A6 (0.38) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL623218 0.68 TDP1 (0.55) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL15462283 0.68 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6099464 0.68 POLB (0.40) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL9706402 0.67 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTKDM4E

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-10081587-B2 Methods for the synthesis of olefins and derivatives GENOMATICA, INC. (US) 2018-09-25 US claimed
US-20170008828-A1 METHODS FOR THE SYNTHESIS OF OLEFINS AND DERIVATIVES GENOMATICA, INC. 2017-01-12 US claimed
US-20090155866-A1 METHODS FOR THE SYNTHESIS OF OLEFINS AND DERIVATIVES GENOMATICA, INC. 2009-06-18 US claimed
US-7268233-B2 Nickel-carbene, palladium-carbene and platinum-carbene complexes, their production and use in catalytic reactions UMICORE AG & CO. KG (DE) 2007-09-11 US claimed
EP-1526917-B1 NOVEL NICKEL-CARBENE, PALLADIUM-CARBENE AND PLATINUM-CARBENE COMPLEXES, THEIR PRODUCTION AND USE IN CATALYTIC REACTIONS UMICORE AG & CO KG (DE) 2007-03-14 EP claimed
US-20060122398-A1 Novel nickel-carbene, palladium-carbene and platinum-carbene complexes, their produciton and use in catalytic reactions UMICORE AG & CO. KG (DE) 2006-06-08 US claimed
EP-1526917-A2 NOVEL NICKEL-CARBENE, PALLADIUM-CARBENE AND PLATINUM-CARBENE COMPLEXES, THEIR PRODUCTION AND USE IN CATALYTIC REACTIONS Umicore AG & Co. KG (DE) 2005-05-04 EP claimed
WO-2004014550-A2 NOVEL NICKEL-CARBENE, PALLADIUM-CARBENE AND PLATINUM-CARBENE COMPLEXES, THEIR PRODUCTION AND USE IN CATALYTIC REACTIONS UMICORE AG & CO. KG (DE) 2004-02-19 WO claimed
WO-2012021093-A1 METHOD FOR REMOVING WEAKLY SOLUBLE DEPOSITS OF A HIGH‑MOLECULAR‑WEIGHT POLYMER FROM POLYMERIZATION EQUIPMENT (VARIANT EMBODIMENTS) ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "СИБУР ХОЛДИНГ" (RU) 2012-02-16 WO disclosed
WO-2011149388-A1 RUTHENIUM CATALYST FOR THE METATHESIS POLYMERIZATION OF DICYCLOPENTADIENE (EMBODIMENTS) AND METHOD FOR PRODUCING POLYDICYCLOPENTADIENE (EMBODIMENTS) ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "СИБУР ХОЛДИНГ" (RU) 2011-12-01 WO disclosed
US-7964758-B2 Process for production of 2-(substituted phenyl)-3,3,3-trifluoropropene compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 US disclosed
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-24 US disclosed
US-7268233-B2 Nickel-carbene, palladium-carbene and platinum-carbene complexes, their production and use in catalytic reactions UMICORE AG & CO. KG (DE) 2007-09-11 US disclosed
EP-1526917-B1 NOVEL NICKEL-CARBENE, PALLADIUM-CARBENE AND PLATINUM-CARBENE COMPLEXES, THEIR PRODUCTION AND USE IN CATALYTIC REACTIONS UMICORE AG & CO KG (DE) 2007-03-14 EP disclosed
US-20060122398-A1 Novel nickel-carbene, palladium-carbene and platinum-carbene complexes, their produciton and use in catalytic reactions UMICORE AG & CO. KG (DE) 2006-06-08 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 (5 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-20170008828-A1 METHODS FOR THE SYNTHESIS OF OLEFINS AND DERIVATIVES COASY, MTHFD2, FAH ALDH1A1 232/4885MEN1 243/4885KMT2A 2174/4885
US-20090155866-A1 METHODS FOR THE SYNTHESIS OF OLEFINS AND DERIVATIVES COASY, MTHFD2, FAH ALDH1A1 232/4885MEN1 243/4885KMT2A 2174/4885
US-10081587-B2 Methods for the synthesis of olefins and derivatives COASY, MTHFD2, FAH ALDH1A1 232/4885MEN1 243/4885KMT2A 2174/4885
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound PEX3, SCO2, LPO ALDH1A1 3618/4885MEN1 1622/4885KMT2A 2764/4885
US-20060122398-A1 Novel nickel-carbene, palladium-carbene and platinum-carbene complexes, their produciton and use in catalytic reactions PPOX, PDCD1, PDCD1LG2 ALDH1A1 3436/4885MEN1 98/4885KMT2A 2773/4885

“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.