SCHEMBL16147758

SCHEMBL16147758

COc1cc2cc(-c3ccccc3-n3cnc4ccccc43)ccc2cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
DHODH Q02127 2/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.43
NEK2 P51955 1/20 0.43
PLK1 P53350 1/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA2B P18089 1/20 0.42
FGFR1 P11362 3/20 0.42

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
SCHEMBL16147586 0.91 FGFR1 (0.51) HPGDALDH1A1KDM4EDHODHKMT2A
SCHEMBL16148288 0.89 FGFR1 (0.48) HPGDALDH1A1KDM4EKMT2AMAPT
SCHEMBL16147478 0.86 FGFR1 (0.44) HPGDALDH1A1KDM4EKMT2AMAPT
SCHEMBL16147759 0.84 FGFR1 (0.54) HPGDALDH1A1KDM4EKMT2AMAPT
SCHEMBL16148102 0.81 AR (0.43) HPGDALDH1A1KDM4EKMT2AMAPT
SCHEMBL19349769 0.81 FGFR1 (0.53) HPGDALDH1A1KDM4EKMT2AMAPT
SCHEMBL16148147 0.81 HPGD (0.53) HPGDALDH1A1KDM4EKMT2AMAPT
SCHEMBL16147182 0.81 FGFR1 (0.55) HPGDALDH1A1KDM4EKMT2AMAPT
SCHEMBL16148371 0.80 FGFR1 (0.58) HPGDALDH1A1KMT2AMAPTRAB9A
SCHEMBL16148296 0.79 FGFR1 (0.39) HPGDALDH1A1KDM4EKMT2AMAPT

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
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP claimed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 WO claimed
EP-2991644-B1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIV MARYLAND (US) 2020-03-25 EP disclosed
EP-3514147-A1 STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2019-07-24 EP disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 US disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 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 (1 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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 HPGD 368/4885ALDH1A1 2392/4885KDM4E 1575/4885

“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.