SCHEMBL12761516

SCHEMBL12761516

C[C@H](O)[C@@H](O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
LMNA P02545 3/20 0.65
ADRA2C P18825 2/20 0.65
ADRA2A P08913 1/20 0.65
HIF1A Q16665 1/20 0.65
ALDH1A1 P00352 3/20 0.62
TSHR P16473 2/20 0.60
CHRM2 P08172 1/20 0.60
ADRA1A P35348 1/20 0.60
RGS12 O14924 1/20 0.60
GLA P06280 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
ALOX15 P16050 1/20 0.60
ALOX12 P18054 1/20 0.60
NFKB1 P19838 1/20 0.60
HTR2A P28223 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL517001 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL25159 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL6543382 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL28117044 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL6689612 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL6483432 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL5353745 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL1954690 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
Bicarbonate SCHEMBL4901524 0.93 LMNA (0.58) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL28002029 0.93 KDM4E (0.58) KDM4ELMNAADRA2CADRA2AHIF1A

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-10751302-B2 Polymorphic and amorphous forms of (R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide PTC THERAPEUTICS, INC. (US) 2020-08-25 US disclosed
US-20190307706-A1 POLYMORPHIC AND AMORPHOUS FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE PTC THERAPEUTICS, INC. 2019-10-10 US disclosed
US-9540366-B2 Ring-fused heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-01-10 US disclosed
US-9540366-B2 Ring-fused heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-01-10 US disclosed
US-20160097063-A1 Production Of Enantiopure alpha-Hydroxy Carboxylic Acids From Alkenes By Cascade Biocatalysis NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-04-07 US disclosed
US-20160097063-A1 Production Of Enantiopure alpha-Hydroxy Carboxylic Acids From Alkenes By Cascade Biocatalysis NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-04-07 US disclosed
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-08 US disclosed
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-08 US disclosed
US-20110065934-A1 METHOD OF PRODUCING BICYCLO[3.1.0] HEXANE DERIVATIVE USING ENZYME TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
EP-1904515-B1 SIDE-CHAIN EXTENDED LIGATION AMYLIN PHARMACEUTICALS INC (US) 2010-12-08 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 (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-20110065934-A1 METHOD OF PRODUCING BICYCLO[3.1.0] HEXANE DERIVATIVE USING ENZYME GRM2, GRM1, FFAR1 KDM4E 3463/4885LMNA 4813/4885ADRA2C 1509/4885
US-10751302-B2 Polymorphic and amorphous forms of (R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide ACAA2, HADHA, HOGA1 KDM4E 552/4885LMNA 758/4885ADRA2C 1227/4885
US-20190307706-A1 POLYMORPHIC AND AMORPHOUS FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE ACAA2, HADHA, HOGA1 KDM4E 552/4885LMNA 758/4885ADRA2C 1227/4885
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND TRPV1, TRPV2, TRPV3 KDM4E 3471/4885LMNA 4011/4885ADRA2C 304/4885

“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.