SCHEMBL3440657

SCHEMBL3440657

CSc1ccccc1Cc1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
PKM P14618 1/20 0.39
CHRM2 P08172 1/20 0.39
GAA P10253 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8086482 0.81 TAAR1 (0.50) MEN1KMT2ATAAR1GAACYP3A4
SCHEMBL5252725 0.79 TAAR1 (0.60) ALDH1A1MEN1KMT2ATAAR1MAPT
SCHEMBL9718454 0.75 LMNA (0.44) TAAR1MAPTLMNACYP3A4CYP2D6
SCHEMBL3440599 0.75 TAAR1 (0.44) TAAR1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL30702302 0.75 TAAR1 (0.44) TAAR1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL1276089 0.72 CYP3A4 (0.57) MEN1KMT2ATAAR1L3MBTL1GAA
SCHEMBL3440642 0.71 HSPA5 (0.64) ALDH1A1TAAR1MAPTL3MBTL1LMNA
SCHEMBL982672 0.71 GAA (0.47) ALDH1A1MEN1KMT2ATAAR1MAPT
SCHEMBL3479885 0.70 LMNA (0.45) ALDH1A1MAPTL3MBTL1LMNASLC6A2
SCHEMBL3376143 0.70 MAPT (0.46) ALDH1A1MEN1KMT2ATAAR1MAPT

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 ALDH1A1 1830/4885MEN1 3480/4885KMT2A 797/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG ALDH1A1 1830/4885MEN1 3480/4885KMT2A 797/4885
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG ALDH1A1 1830/4885MEN1 3480/4885KMT2A 797/4885

“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.