SCHEMBL17538308

SCHEMBL17538308

CC1CCc2cc(OC(=O)n3cnc4ccccc43)ccc2C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.36
ASAH1 Q13510 1/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.35
CYP17A1 P05093 1/20 0.35
PPARD Q03181 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL16158417 0.88 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL17538349 0.84 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL17531490 0.80 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL17538342 0.74 TBXAS1 (0.40) MAPTSMN1; SMN2LMNABCHEACHE
SCHEMBL17538350 0.74 MAPT (0.38) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17538288 0.74 FGFR1 (0.49) HTTCYP17A1
SCHEMBL29145169 0.72 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL19366290 0.71 KMT2A (0.35) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL17531487 0.71 KMT2A (0.35) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL17531507 0.69 KMT2A (0.37) KMT2AMEN1SMN1; SMN2HTTNPC1

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
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US 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 (2 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 KMT2A 3574/4885MEN1 1546/4885ALDH1A1 2392/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 KMT2A 3574/4885MEN1 1546/4885ALDH1A1 2392/4885

“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.