SCHEMBL7250494

SCHEMBL7250494

COc1ccc2c(c1)[nH]c1cc(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 4/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 1/20 0.55
GFER P55789 1/20 0.55
HPGD P15428 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
DYRK1A Q13627 7/20 0.51
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
HTR7 P34969 2/20 0.50
NISCH Q9Y2I1 2/20 0.50
DYRK3 O43781 1/20 0.50
CCNT1 O60563 1/20 0.50

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
SCHEMBL6744507 0.91 KDM4E (0.65) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL29533596 0.88 KDM4E (0.68) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL2330779 0.88 KDM4E (0.68) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL29365550 0.82 KDM4E (0.57) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL124178 0.82 KDM4E (0.57) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL29233384 0.81 HSD17B10 (0.78) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL7256581 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL7250714 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL7255713 0.80 MAOA (0.58) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL689559 0.80 KDM4E (0.55) KDM4EALDH1A1HSD17B10MAPTKMT2A

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 8 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-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
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 WO disclosed
US-20150030540-A1 Imaging agents for detecting neurological dysfunction LILLY CO ELI (US) 2015-01-29 US disclosed
US-20030040538-A1 Novel substituted tricyclic compounds ASAHI-KASEI KABUSHIKI KAISHA (JP) 2003-02-27 US disclosed
EP-1238973-A1 NOVEL SUBSTITUTED TRICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2002-09-11 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 (6 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 950/4885HSD17B10 135/4885
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT KDM4E 1811/4885ALDH1A1 950/4885HSD17B10 135/4885
US-20030040538-A1 Novel substituted tricyclic compounds CPT1A, CBR1, NR1H3 KDM4E 1429/4885ALDH1A1 1241/4885HSD17B10 22/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT KDM4E 1811/4885ALDH1A1 950/4885HSD17B10 135/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT KDM4E 1811/4885ALDH1A1 950/4885HSD17B10 135/4885
US-20150030540-A1 Imaging agents for detecting neurological dysfunction SLC18A3, TSPO, CHAT KDM4E 4807/4885ALDH1A1 2661/4885HSD17B10 3231/4885

“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.