SCHEMBL12435784

SCHEMBL12435784

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
LMNA P02545 3/20 0.62
ADRA2C P18825 2/20 0.62
ADRA2A P08913 1/20 0.62
HIF1A Q16665 1/20 0.62
ALDH1A1 P00352 3/20 0.60
CHRM2 P08172 1/20 0.58
ADRA1A P35348 1/20 0.58
RGS12 O14924 1/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
NFKB1 P19838 1/20 0.58
HTR2A P28223 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL16174384 1.00 KDM4E (0.62) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL2483568 1.00 KDM4E (0.62) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL8230082 1.00 KDM4E (0.62) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL791742 1.00 KDM4E (0.62) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL12581063 1.00 KDM4E (0.62) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL16172571 1.00 KDM4E (0.62) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL23626333 0.81 LMNA (0.52) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL8889599 0.81 LMNA (0.52) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL517001 0.81 KDM4E (0.65) KDM4ELMNAADRA2CADRA2AHIF1A
SCHEMBL6689612 0.81 KDM4E (0.65) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 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-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY FABP4, LIPC, GPR119 KDM4E 2314/4885LMNA 1916/4885ADRA2C 310/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 KDM4E 2169/4885LMNA 1535/4885ADRA2C 2555/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC KDM4E 2159/4885LMNA 2295/4885ADRA2C 423/4885
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods HSP90AA1, HSP90AB1, HSP90B1 KDM4E 1791/4885LMNA 3335/4885ADRA2C 4438/4885

“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.