SCHEMBL13216633

SCHEMBL13216633

CC(C)(C)c1ccccc1Sc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
HTR1A P08908 3/20 0.46
HTR3A P46098 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
RHEB Q15382 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7926405 0.84 ALDH1A1 (0.41) HTR1AHTR3ACYP2C9LMNAALDH1A1
SCHEMBL29026508 0.81 HTR1A (0.39) SLC6A4HTR1AHTR3ACYP3A4CYP2C9
SCHEMBL28818579 0.81 MMP2 (0.39) SLC6A4HTR1AHTR3ACYP3A4CYP2C9
SCHEMBL6364715 0.80 TDP1 (0.48) HTR1AHTR3ACYP3A4CYP2C9CYP1A2
SCHEMBL28818585 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1
SCHEMBL14388103 0.75 SLC6A4 (0.54) SLC6A4HTR1AHTR3ACYP3A4CYP2C9
SCHEMBL30958573 0.74 SLC6A4 (0.53) SLC6A4HTR1AHTR3ACYP3A4CYP2C9
SCHEMBL8433301 0.74 MEN1 (0.57) SLC6A4HTR1AHTR3ACYP3A4CYP2C9
SCHEMBL2026425 0.73 P2RY2 (0.48) CYP3A4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11334294 0.71 ALDH1A1 (0.44) CYP2C9LMNAALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 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 (6 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 SLC6A4 1052/4885HTR1A 3080/4885HTR3A 2021/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 SLC6A4 723/4885HTR1A 2061/4885HTR3A 1562/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 SLC6A4 723/4885HTR1A 2061/4885HTR3A 1562/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 SLC6A4 723/4885HTR1A 2061/4885HTR3A 1562/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 SLC6A4 723/4885HTR1A 2061/4885HTR3A 1562/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 SLC6A4 723/4885HTR1A 2061/4885HTR3A 1562/4885

“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.