SCHEMBL10064784

SCHEMBL10064784

CC(C)(C)COc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.49
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SSTR4 P31391 6/20 0.46
SSTR1 P30872 4/20 0.46
KCNH2 Q12809 1/20 0.45
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL13449767 0.84 KDM4E (0.41) L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL13050345 0.84 ALDH1A1 (0.45) L3MBTL1TDP1KMT2ACYP1A2CYP2C19
SCHEMBL19139302 0.84 MCHR1 (0.47) L3MBTL1MAPTTDP1SSTR4SSTR1
SCHEMBL16252788 0.84 L3MBTL1 (0.46) L3MBTL1MAPTTDP1SSTR4SSTR1
SCHEMBL10202948 0.80 L3MBTL1 (0.54) L3MBTL1MAPTTDP1SSTR4KCNH2
SCHEMBL2354995 0.79 PIM1 (0.36) L3MBTL1MAPTTDP1SSTR4SSTR1
SCHEMBL16744336 0.79 PIM1 (0.36) L3MBTL1MAPTSSTR4SSTR1KCNH2
SCHEMBL10202961 0.79 L3MBTL1 (0.56) L3MBTL1MAPTTDP1KCNH2HPGD
SCHEMBL21748887 0.78 SSTR4 (0.55) SSTR4SSTR1HPGDNPC1RAB9A
SCHEMBL16252759 0.77 HPGD (0.45) L3MBTL1MAPTTDP1SSTR4SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
CN-102361845-A Method for producing conjugated aromatic compound SUMITOMO CHEMICAL CO 2012-02-22 CN disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20100292289-A1 TREATMENT OF METABOLIC SYNDROME WITH NOVEL AMIDES AMPLA PHARMACEUTICALS INC. (US) 2010-11-18 US disclosed
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ARTESIAN THERAPEUTICS, INC. (CA) 2008-10-23 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 (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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 L3MBTL1 2390/4885MAPT 287/4885TDP1 1612/4885
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ADRB2, ADRB3, ADRB1 L3MBTL1 3584/4885MAPT 4285/4885TDP1 1223/4885
US-20100292289-A1 TREATMENT OF METABOLIC SYNDROME WITH NOVEL AMIDES GPR119, CPT1A, GLS2 L3MBTL1 4242/4885MAPT 3155/4885TDP1 4666/4885

“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.