SCHEMBL17498735

SCHEMBL17498735

COc1cc(CNc2ccccc2-n2cnc3ccccc32)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 4/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
GPR55 Q9Y2T6 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 3/20 0.47
KIT P10721 2/20 0.47
FLT3 P36888 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
FGFR1 P11362 1/20 0.43
ADRA2B P18089 1/20 0.42
MKNK1 Q9BUB5 1/20 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
SCHEMBL16147960 0.89 KIT (0.60) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL16148212 0.86 KDM4E (0.55) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL16148390 0.83 KDM4E (0.48) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL17498789 0.83 MAPT (0.62) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL16147115 0.83 FGFR1 (0.48) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL16147440 0.83 KIT (0.48) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL17498736 0.81 KIT (0.60) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL16147320 0.80 MAPT (0.59) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL17498760 0.78 ALDH1A1 (0.55) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL17498808 0.78 MEN1 (0.59) MAPTALDH1A1HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPT 2604/4885ALDH1A1 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.