SCHEMBL3096554

SCHEMBL3096554

CC([C@@H](O)c1ccccc1)[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
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
TSHR P16473 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
SCHEMBL3096571 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL1071177 1.00 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
Acetic Acid SCHEMBL18759652 0.91 LMNA (0.56) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL14962672 0.90 KDM4E (0.60) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL8294102 0.90 KDM4E (0.60) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL14543117 0.90 KDM4E (0.60) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL28354540 0.90 KDM4E (0.60) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL1080697 0.90 KDM4E (0.60) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL11637617 0.85 ADRA2C (0.75) KDM4ELMNAADRA2CADRA2AHIF1A
Benzoic Acid SCHEMBL1082233 0.85 TSHR (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 US disclosed
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY KDM4E 2747/4885LMNA 2075/4885ADRA2C 3179/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 KDM4E 3322/4885LMNA 2022/4885ADRA2C 2301/4885

“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.