SCHEMBL690340

SCHEMBL690340

COc1ccc2c(c1)[nH]c1c(C)c(O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.58
ACHE P22303 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
GSK3B P49841 2/20 0.58
DYRK3 O43781 1/20 0.58
CCNT1 O60563 1/20 0.58
CCNB2 O95067 1/20 0.58
CYP1A2 P05177 1/20 0.58
CDK1 P06493 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADRA2A P08913 1/20 0.58
CYP2D6 P10635 1/20 0.58
CCNB1 P14635 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
CCNA2 P20248 1/20 0.58
MAOA P21397 1/20 0.58
SLC6A2 P23975 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
SCHEMBL16450984 0.84 STING1 (0.67) DYRK1AACHEKDM4EALDH1A1HPGD
SCHEMBL18487741 0.81 DYRK1A (0.55) DYRK1AACHEKDM4EALDH1A1HPGD
SCHEMBL2330779 0.77 KDM4E (0.68) DYRK1AACHEKDM4EALDH1A1HPGD
SCHEMBL29533596 0.77 KDM4E (0.68) DYRK1AACHEKDM4EALDH1A1HPGD
SCHEMBL7737505 0.76 DYRK1A (0.60) DYRK1AACHEKDM4EALDH1A1HPGD
SCHEMBL689559 0.76 KDM4E (0.55) DYRK1AACHEKDM4EALDH1A1HPGD
SCHEMBL5964419 0.75 KIF11 (0.56) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL7250494 0.75 KDM4E (0.55) DYRK1AACHEKDM4EALDH1A1HPGD
SCHEMBL30939881 0.75 DYRK1A (0.74) DYRK1AACHEKDM4EALDH1A1HPGD
SCHEMBL16102894 0.75 DYRK1A (0.74) DYRK1AACHEKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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
US-20100130579-A1 CANCER THERAPY GEORGETOWN UNIVERSITY (US) 2010-05-27 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 (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 DYRK1A 2487/4885ACHE 4683/4885KDM4E 1811/4885
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT DYRK1A 2487/4885ACHE 4683/4885KDM4E 1811/4885
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION RASSF5, RASSF2, MKI67 DYRK1A 2619/4885ACHE 4748/4885KDM4E 1073/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT DYRK1A 2487/4885ACHE 4683/4885KDM4E 1811/4885
US-20100130579-A1 CANCER THERAPY RASSF5, RASSF2, DNMT1 DYRK1A 4535/4885ACHE 4750/4885KDM4E 331/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT DYRK1A 2487/4885ACHE 4683/4885KDM4E 1811/4885
US-10457639-B2 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation RASSF5, RASSF2, MKI67 DYRK1A 2619/4885ACHE 4748/4885KDM4E 1073/4885

“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.