SCHEMBL12866136

SCHEMBL12866136

CC(C)=CCc1c(C)c(O)c(CO)c(CO)c1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
PTGES O14684 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IMPDH2 P12268 3/20 0.36
VKORC1 Q9BQB6 1/20 0.35
APP P05067 2/20 0.35
UBE2M P61081 1/20 0.35
RELA Q04206 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
HPGD P15428 1/20 0.35
OPRD1 P41143 1/20 0.35
MAOA P21397 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL6031763 0.85 MAOB (0.56) MAOBPTGESCYP19A1MEN1KMT2A
SCHEMBL12539779 0.84 BACE1 (0.56) MAOBMEN1KMT2AAPP
SCHEMBL15459156 0.75 APP (0.36) MAOBTRPV4CYP19A1MEN1KMT2A
SCHEMBL11178136 0.74 MAOB (0.53) MAOBCYP19A1MEN1KMT2AIMPDH2
SCHEMBL15459130 0.74 APP (0.39) MAOBPTGESMEN1KMT2AIMPDH2
SCHEMBL11407178 0.73 IMPDH2 (0.50) MAOBPTGESCYP19A1MEN1KMT2A
SCHEMBL25891284 0.73 VKORC1 (0.54) MAOBCYP19A1MEN1KMT2AIMPDH2
SCHEMBL12744505 0.72 ERBB2 (0.40) HPGD
SCHEMBL10738991 0.72 IMPDH2 (0.42) MAOBIMPDH2APP
SCHEMBL16597206 0.70 ERBB2 (0.39) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028914-B2 Reduction type coenzyme Q10 powder, composition thereof, and preparation method thereof Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutica Factory (CN) 2018-07-24 US disclosed
US-20170209463-A1 DIETARY SUPPLEMENT COMPOSITIONS FOR CARDIOVASCULAR HEALTH MELALEUCA, INC. 2017-07-27 US disclosed
US-20160101053-A1 Reduction Type Coenzyme Q10 Powder, Composition Thereof, And Preparation Method Thereof ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2016-04-14 US disclosed
US-20110038848-A1 DIETARY SUPPLEMENT COMPOSITIONS FOR CARDIOVASCULAR HEALTH MELALEUCA, INC. (US) 2011-02-17 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 (4 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-20170209463-A1 DIETARY SUPPLEMENT COMPOSITIONS FOR CARDIOVASCULAR HEALTH APOB, FABP3, HDLBP MAOB 1439/4885PTGES 1834/4885TRPV4 4739/4885
US-20160101053-A1 Reduction Type Coenzyme Q10 Powder, Composition Thereof, And Preparation Method Thereof NDUFA10, NDUFB10, COQ8A MAOB 828/4885PTGES 415/4885TRPV4 4447/4885
US-10028914-B2 Reduction type coenzyme Q10 powder, composition thereof, and preparation method thereof NDUFA10, NDUFB10, COQ8A MAOB 828/4885PTGES 415/4885TRPV4 4447/4885
US-20110038848-A1 DIETARY SUPPLEMENT COMPOSITIONS FOR CARDIOVASCULAR HEALTH APOB, FABP3, HDLBP MAOB 1439/4885PTGES 1834/4885TRPV4 4739/4885

“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.