SCHEMBL645577

SCHEMBL645577

C=Cc1cc(C)n(-c2ccccc2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.60
MAPT P10636 11/20 0.60
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPSR1 Q6W5P4 3/20 0.60
MITF O75030 1/20 0.60
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
RAB9A P51151 7/20 0.58
NPC1 O15118 5/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
RXFP1 Q9HBX9 2/20 0.57
TP53 P04637 1/20 0.57
RECQL P46063 1/20 0.57

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
SCHEMBL645648 0.81 POLB (0.68) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14464170 0.78 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9656115 0.77 LMNA (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL19501865 0.77 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13848139 0.75 MDM2 (0.81) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11337959 0.75 RAB9A (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL15765106 0.75 RXRA (0.72) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11337955 0.75 RAB9A (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5857925 0.75 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5857932 0.74 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119660-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-8119660-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-8119660-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-01 US disclosed
US-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-01 US disclosed
US-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-01 US disclosed
US-7696227-B2 Small-molecule inhibitors of the androgen receptor REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-13 US disclosed
US-7696227-B2 Small-molecule inhibitors of the androgen receptor REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-13 US disclosed
US-7696227-B2 Small-molecule inhibitors of the androgen receptor REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-13 US disclosed
US-20080293766-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-27 US disclosed
US-20080293766-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-27 US disclosed
US-20080293766-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-27 US disclosed
WO-2008128100-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-23 WO disclosed
WO-2008128100-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-23 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 (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-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, GNRHR, FSHR ALDH1A1 987/4885MAPT 4635/4885MEN1 924/4885
US-20080293766-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, GNRHR, FSHR ALDH1A1 987/4885MAPT 4635/4885MEN1 924/4885

“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.