SCHEMBL919252

SCHEMBL919252

CC(C)=CCOc1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MTNR1A P48039 1/20 0.43
GAA P10253 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
AGTR1 P30556 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRD1 P41143 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
SCHEMBL8036010 0.85 KDM4E (0.53) KDM4EALDH1A1MTNR1AGAAMAPT
SCHEMBL8960126 0.82 HTT (0.39) KDM4EALDH1A1MTNR1AMAPTHPGD
SCHEMBL5519173 0.81 L3MBTL1 (0.35) ALDH1A1MTNR1AGAAMAPTMEN1
SCHEMBL921795 0.80 HTT (0.50) HTT
SCHEMBL1135899 0.79 NDUFS8 (0.49) KDM4EALDH1A1MTNR1AMAPTHPGD
SCHEMBL4114408 0.79 KDM4E (0.49) KDM4EALDH1A1MTNR1AGAAMAPT
SCHEMBL919396 0.78 KDM4E (0.39) KDM4EALDH1A1MTNR1AGAAMAPT
SCHEMBL9856070 0.78 MGAM (0.55) KDM4EALDH1A1MTNR1AGAALMNA
SCHEMBL9727736 0.78 CYP19A1 (0.48) KDM4EALDH1A1MTNR1AGAAMGAM
SCHEMBL14012896 0.78 MAOB (0.52) KDM4EALDH1A1MTNR1AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115083-B2 Compounds from Antrodia cinnamomea and use thereof SIMPSON BIOTECH CO., LTD. (TW) 2015-08-25 US claimed
US-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2014-06-26 US claimed
US-20130225649-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2013-08-29 US claimed
US-9115083-B2 Compounds from Antrodia cinnamomea and use thereof SIMPSON BIOTECH CO., LTD. (TW) 2015-08-25 US disclosed
US-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2014-06-26 US disclosed
US-8703968-B2 Compounds from Antrodia cinnamomea and use thereof SIMPSON BIOTECH CO., LTD. (TW) 2014-04-22 US disclosed
US-20130225649-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2013-08-29 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-1764363-A2 SUBSTITUTED ACETOPHENONEDERIVATIVES Riemser Arzneimittel AG (DE) 2007-03-21 EP disclosed
US-6800630-B2 CYTOSTATIC ACTIVITY, INHIBITORY ACTIVITY AGAINST A SIGNAL DERIVED FROM RAS ONCOGENE PRODUCTS SHIONOGI & CO., LTD. (JP) 2004-10-05 US disclosed
EP-1251129-B1 PYRIMIDINE DERIVATIVES HAVING ANTITUMOR EFFECT SHIONOGI & CO (JP) 2004-06-09 EP disclosed
US-20030203894-A1 Pyrimidine derivatives having antitumor effect SHIONOGI & CO., LTD. (JP) 2003-10-30 US disclosed
EP-1251129-A1 PYRIMIDINE DERIVATIVES HAVING ANTITUMOR EFFECT SHIONOGI & CO., LTD. (JP) 2002-10-23 EP disclosed
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 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 (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-20030203894-A1 Pyrimidine derivatives having antitumor effect TYMS, TYMP, RRM1 KDM4E 1449/4885ALDH1A1 1562/4885MTNR1A 3257/4885
US-20130225649-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF HAVCR2, CYP51A1, NPC1 KDM4E 3958/4885ALDH1A1 121/4885MTNR1A 3898/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 KDM4E 3657/4885ALDH1A1 2743/4885MTNR1A 1569/4885
US-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF HAVCR2, CYP51A1, NPC1 KDM4E 3958/4885ALDH1A1 121/4885MTNR1A 3898/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KDM4E 3733/4885ALDH1A1 4326/4885MTNR1A 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.