SCHEMBL17498804

SCHEMBL17498804

COc1ccc(C(=O)Nc2ccccc2-n2cnc3ccccc32)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
GAA P10253 1/20 0.60
PDE4D Q08499 1/20 0.55
HPGD P15428 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 2/20 0.54
CHEK1 O14757 1/20 0.54
PIM1 P11309 1/20 0.54
MAPK8 P45983 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 1/20 0.50
ADRA2B P18089 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL17498831 0.92 ALDH1A1 (0.58) ALDH1A1GAAPDE4DHPGDNPSR1
SCHEMBL17498776 0.90 ALDH1A1 (0.56) ALDH1A1GAAHPGDNPSR1HTT
SCHEMBL17498728 0.90 ALDH1A1 (0.56) ALDH1A1GAAHPGDNPSR1HTT
SCHEMBL17498808 0.89 MEN1 (0.59) ALDH1A1GAAHPGDNPSR1HTT
SCHEMBL17498834 0.88 ALDH1A1 (0.54) ALDH1A1GAAHPGDNPSR1HTT
SCHEMBL16147361 0.86 ALDH1A1 (0.74) ALDH1A1GAAHPGDHTTPOLB
SCHEMBL17498772 0.84 FGFR1 (0.66) ALDH1A1GAAHPGDPOLBLMNA
SCHEMBL16158512 0.82 POLB (0.57) ALDH1A1POLBLMNAMAPTNPC1
SCHEMBL16147975 0.81 FGFR1 (0.61) ALDH1A1GAAHPGDPOLBLMNA
SCHEMBL17498806 0.81 ALDH1A1 (0.56) ALDH1A1GAAHPGDHTTLMNA

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 ALDH1A1 2392/4885GAA 3428/4885PDE4D 1395/4885

“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.