SCHEMBL3440642

SCHEMBL3440642

CSc1ccccc1Cc1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.64
KEAP1 Q14145 1/20 0.47
CHRM2 P08172 1/20 0.43
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
AKR1B1 P15121 1/20 0.41
IDO1 P14902 2/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA9 Q16790 1/20 0.38
MPO P05164 1/20 0.38
IDH1 O75874 1/20 0.38
P4HB P07237 1/20 0.38
HTR1A P08908 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL49745 0.80 HSPA5 (1.00) HSPA5KEAP1CYP2D6TSHRHIF1A
SCHEMBL29357407 0.80 HSPA5 (1.00) HSPA5KEAP1CYP2D6TSHRHIF1A
SCHEMBL5852726 0.78 HSPA5 (0.94) HSPA5KEAP1CYP2D6TSHRHIF1A
SCHEMBL7809667 0.78 HSPA5 (0.94) HSPA5KEAP1CYP2D6TSHRHIF1A
SCHEMBL29839938 0.78 HSPA5 (0.94) HSPA5KEAP1CYP2D6TSHRHIF1A
Ammonia Solution, Strong SCHEMBL28323965 0.78 HSPA5 (0.94) HSPA5KEAP1CYP2D6TSHRHIF1A
SCHEMBL337809 0.75
SCHEMBL29368735 0.75
SCHEMBL28840360 0.75 L3MBTL1 (0.47) CHRM2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL8889938 0.74 TSHR (0.51) TSHRHIF1ACA12CA2ALDH1A1

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 HSPA5 4386/4885KEAP1 4132/4885CHRM2 3117/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG HSPA5 4386/4885KEAP1 4132/4885CHRM2 3117/4885
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG HSPA5 4386/4885KEAP1 4132/4885CHRM2 3117/4885

“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.