SCHEMBL1962771

SCHEMBL1962771

COCOc1ccc(C(C)=O)c(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.64
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
MAOA P21397 6/20 0.48

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
SCHEMBL6035440 0.95 MAOB (0.68) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL29369517 0.90 MAOB (0.78) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL384341 0.90 MAOB (0.78) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL3214018 0.88 MAOB (0.63) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL6450099 0.87 MAOB (0.65) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL10797158 0.86 MAOB (0.72) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL29466867 0.86 MAOB (0.68) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL1961888 0.86 MAOB (0.53) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL5445458 0.85 KDM4E (0.49) MAOBMAPTCYP2C9CYP2C19L3MBTL1
SCHEMBL31088170 0.85 KDM4E (0.49) MAOBMAPTCYP2C9CYP2C19L3MBTL1

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-8563599-B2 Methods for synthesizing glycinols, glyceollins I and II, compositions of selected intermediates, and therapeutic uses thereof THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2013-10-22 US disclosed
US-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 US disclosed
US-20110144195-A1 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF XAVIER UNIVERSITY OF LOUISIANA 2011-06-16 US disclosed
WO-2009111428-A2 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2009-09-11 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 (2 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-20110144195-A1 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF GPER1, ESR2, GNE MAOB 3183/4885SMN1; SMN2 3213/4885MAPT 4369/4885
US-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 MAOB 669/4885SMN1; SMN2 4139/4885MAPT 3387/4885

“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.