SCHEMBL689559

SCHEMBL689559

COc1ccc2c(c1)[nH]c1cc(O)c(C)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 5/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HSD17B10 Q99714 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
DYRK1A Q13627 7/20 0.50
HPGD P15428 3/20 0.50
ACHE P22303 3/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
HTR7 P34969 2/20 0.49
NISCH Q9Y2I1 2/20 0.49
GSK3B P49841 2/20 0.49
DYRK3 O43781 1/20 0.49
CCNT1 O60563 1/20 0.49

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
SCHEMBL2330779 0.82 KDM4E (0.68) KDM4EALDH1A1RXFP1HSD17B10MAPT
SCHEMBL29533596 0.82 KDM4E (0.68) KDM4EALDH1A1RXFP1HSD17B10MAPT
SCHEMBL17817109 0.82 KDM4E (0.69) KDM4EALDH1A1RXFP1HSD17B10MAPT
SCHEMBL24553604 0.81 KDM4E (0.55) KDM4EALDH1A1RXFP1HSD17B10MAPT
SCHEMBL7250494 0.80 KDM4E (0.55) KDM4EALDH1A1RXFP1HSD17B10MAPT
SCHEMBL18490722 0.80 KDM4E (0.56) KDM4EALDH1A1RXFP1HSD17B10MAPT
SCHEMBL20434618 0.80 KIF11 (0.56) KDM4EALDH1A1RXFP1HSD17B10MAPT
SCHEMBL6744507 0.79 KDM4E (0.65) KDM4EALDH1A1RXFP1HSD17B10MAPT
SCHEMBL6009651 0.78 KDM4E (0.59) KDM4EALDH1A1RXFP1HSD17B10MAPT
7-Methoxy-3-Methylcarbazole SCHEMBL602038 0.77 KDM4E (0.67) KDM4EALDH1A1RXFP1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2020-08-06 US disclosed
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2020-08-06 US disclosed
US-10457639-B2 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation GEORGETOWN UNIVERSITY (US) 2019-10-29 US disclosed
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2019-03-14 US disclosed
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2019-03-14 US disclosed
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2019-01-08 US disclosed
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2019-01-08 US disclosed
US-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2018-08-02 US disclosed
US-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2018-08-02 US disclosed
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 WO disclosed
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 WO disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 US disclosed
EP-2484666-A1 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation Georgetown University (US) 2012-08-08 EP disclosed
EP-2323982-B1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION UNIV GEORGETOWN (US) 2012-02-29 EP disclosed
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY 2011-06-23 US disclosed
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY 2011-06-23 US disclosed
EP-2323982-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION Georgetown University (US) 2011-05-25 EP disclosed
WO-2010019271-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY (US) 2010-02-18 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 (7 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-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT KDM4E 1811/4885ALDH1A1 950/4885RXFP1 1281/4885
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT KDM4E 1811/4885ALDH1A1 950/4885RXFP1 1281/4885
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION RASSF5, RASSF2, MKI67 KDM4E 1073/4885ALDH1A1 830/4885RXFP1 3593/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT KDM4E 1811/4885ALDH1A1 950/4885RXFP1 1281/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT KDM4E 1811/4885ALDH1A1 950/4885RXFP1 1281/4885
US-10457639-B2 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation RASSF5, RASSF2, MKI67 KDM4E 1073/4885ALDH1A1 830/4885RXFP1 3593/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 KDM4E 812/4885ALDH1A1 999/4885RXFP1 219/4885

“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.