SCHEMBL16147757

SCHEMBL16147757

COc1cc2cc(-c3cccc(-c4nc5ccccc5[nH]4)c3)ccc2cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
RAB9A P51151 4/20 0.55
HPGD P15428 4/20 0.55
NPC1 O15118 4/20 0.55
KMT2A Q03164 5/20 0.54
DHODH Q02127 1/20 0.52
COMT P21964 1/20 0.51
HPSE Q9Y251 4/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B1 P14061 1/20 0.47

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
SCHEMBL16147588 0.91 KMT2A (0.56) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL16148286 0.88 NPC1 (0.60) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL16147474 0.85 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL16148101 0.80 NPC1 (0.51) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL16148150 0.80 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL16147181 0.80 NPC1 (0.70) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL17498814 0.78 HDAC1 (0.57) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL16148370 0.78 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL16148278 0.78 RAB9A (0.53) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL16148300 0.78 NPC1 (0.48) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD

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 KDM4E 1575/4885ALDH1A1 2392/4885SMN1; SMN2 106/4885

“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.