SCHEMBL645578

SCHEMBL645578

C=Cc1ccn(-c2cc(C)ccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
SLC18A3 Q16572 1/20 0.33
MPI P34949 3/20 0.32
PHOSPHO1 Q8TCT1 3/20 0.32
PMM2 O15305 2/20 0.32
USP2 O75604 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CREBBP Q92793 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7498253 0.78 HSD17B10 (0.46) TDP1HSD17B10ALDH1A1TSHRHTT
SCHEMBL5270640 0.70 HSD17B10 (0.48) TP53TDP1HSD17B10ALDH1A1TSHR
SCHEMBL7772481 0.69 TUBB4A (0.42) TP53TDP1HSD17B10ALDH1A1TSHR
SCHEMBL20535401 0.65 RAPGEF4 (0.44) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL2750548 0.65 HSD17B10 (0.43) TP53TDP1HSD17B10ALDH1A1TSHR
SCHEMBL11569176 0.63 IDO1 (0.44) TDP1HSD17B10ALDH1A1TSHRMEN1
SCHEMBL8973467 0.63 MGLL (0.53) TP53TDP1ALDH1A1HTTMAPT
SCHEMBL16141626 0.62 HSD17B10 (0.41) TP53TDP1HSD17B10ALDH1A1TSHR
Styrene SCHEMBL7572896 0.62 ALDH1A1 (0.56) TP53TDP1ALDH1A1TSHRHTT
SCHEMBL9366859 0.62 TDP1 (0.45) TP53TDP1ALDH1A1TSHRMEN1

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 2 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-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-01 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-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, GNRHR, FSHR TP53 1188/4885TDP1 4461/4885HSD17B10 154/4885

“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.