SCHEMBL7928047

SCHEMBL7928047

CCCCOc1cc(CO)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.52
MAPK1 P28482 2/20 0.52
PDE4D Q08499 2/20 0.52
TNF P01375 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
SMPD1 P17405 4/20 0.49

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
SCHEMBL579348 0.93 NPC1 (0.54) MAPTKDM4EMEN1KMT2A
SCHEMBL6798353 0.92 NPSR1 (0.50) MAPTSIGMAR1
SCHEMBL7043742 0.91 BIRC5 (0.49) PDE4AMAPK1PDE4DTNFLMNA
SCHEMBL277697 0.89 S1PR2 (0.55) SMPD1
SCHEMBL579290 0.87 S1PR2 (0.57) SMPD1
SCHEMBL2820207 0.87 S1PR2 (0.57) SMPD1
SCHEMBL10427981 0.87 S1PR2 (0.57) SMPD1
SCHEMBL12328267 0.87 SIGMAR1 (0.51) PDE4AMAPK1PDE4DTNFLMNA
SCHEMBL29521379 0.87 REN (0.48) MAPTKDM4ESMPD1
SCHEMBL2810242 0.87 REN (0.48) MAPTKDM4ESMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708310-B2 Phenanthroindolizidine and phenanthroquinolizidine alkaloid having a hydroxyl group on the phenanthrene ring thereof, preparation method and use thereof CHINA MEDICAL UNIVERSITY (TW) 2017-07-18 US disclosed
US-9676622-B2 Process for producing hydrogen or heavy hydrogens, and hydrogenation (protiation, deuteration or tritiation) of organic compounds using same SHIONO CHEMICAL CO., LTD. (JP) 2017-06-13 US disclosed
US-20170152257-A1 PHENANTHROINDOLIZIDINE AND PHENANTHROQUINOLIZIDINE ALKALOID HAVING A HYDROXYL GROUP ON THE PHENANTHRENE RING THEREOF, PREPARATION METHOD AND USE THEREOF CHINA MEDICAL UNIVERSITY (TW) 2017-06-01 US disclosed
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
US-20140363369-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME SHIONO CHEMICAL CO., LTD. (JP) 2014-12-11 US disclosed
US-8871980-B2 Process for producing hydrogen or heavy hydrogens, and hydrogenation (protiation, deuteration or tritiation) of organic compounds using same SHIONO CHEMICAL CO., LTD. (JP) 2014-10-28 US disclosed
EP-2607300-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME Shiono Chemical Co., Ltd. (JP) 2013-06-26 EP disclosed
US-20130150623-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME SHIONO CHEMICAL CO., LTD. (JP) 2013-06-13 US disclosed
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed
WO-2004031149-A1 SUBSTITUTED GAMMA-PHENYL-DELTA-LACTAMS AND USES RELATED THERETO INFLAZYME PHARMACEUTICALS LTD. (CA) 2004-04-15 WO 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-20170152257-A1 PHENANTHROINDOLIZIDINE AND PHENANTHROQUINOLIZIDINE ALKALOID HAVING A HYDROXYL GROUP ON THE PHENANTHRENE RING THEREOF, PREPARATION METHOD AND USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAH, HIPK4 PDE4A 2214/4885MAPK1 3795/4885PDE4D 3202/4885

“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.