SCHEMBL3440607

SCHEMBL3440607

CSc1ccccc1C(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 6/20 0.49
GSTA1 P08263 2/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
ALOX15 P16050 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
HIF1A Q16665 1/20 0.49
LIG1 P18858 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL9669181 0.90 HTT (0.55) LMNAGAAHPGDALDH1A1HTT
SCHEMBL11756485 0.83 MAPT (0.52) LMNAGAAHPGDGSTA1ALOX15
2,2'-Dihydroxybenzphenone SCHEMBL18422 0.81 HPGD (0.67) LMNAGAAHPGDGSTA1CYP1A2
2,2'-Dihydroxybenzphenone SCHEMBL29572496 0.81 HPGD (0.67) LMNAGAAHPGDGSTA1CYP1A2
SCHEMBL27205433 0.81 ALDH1A1 (0.54) GAACYP3A4ALOX15ALDH1A1HTT
SCHEMBL455832 0.79 LIG1 (0.64) LMNAGAAHPGDGSTA1CYP1A2
2,2'-Dihydroxybenzphenone SCHEMBL11145317 0.79 LIG1 (0.64) LMNAGAAHPGDGSTA1CYP1A2
2,2'-Dihydroxybenzphenone SCHEMBL6652370 0.79 LIG1 (0.64) LMNAGAAHPGDGSTA1CYP1A2
SCHEMBL8578095 0.78 AKR1C3 (0.55) GAAHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL3440477 0.77 TSHR (0.63) LMNAHPGDALOX15ALDH1A1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450374-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2013-05-28 US disclosed
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal UNIVERSITY OF DELAWARE 2010-12-30 US disclosed
US-7807713-B2 Pan-antagonists for the androgen receptor and androgen associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2010-10-05 US disclosed
US-7807713-B2 Pan-antagonists for the androgen receptor and androgen associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2010-10-05 US disclosed
US-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-13 US disclosed
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-13 US disclosed
WO-2008013791-A2 PAN-ANTAGONISTS FOR THE ANDROGEN RECEPTOR AND ANDROGEN RECEPTOR MUTANTS ASSOCIATED WITH ANTI-ANDROGEN WITHDRAWAL UNIVERSITY OF DELAWARE (US) 2008-01-31 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 (3 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-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG LMNA 4175/4885GAA 3879/4885HPGD 1777/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG LMNA 4175/4885GAA 3879/4885HPGD 1777/4885
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG LMNA 4175/4885GAA 3879/4885HPGD 1777/4885

“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.