SCHEMBL4128840

SCHEMBL4128840

O=CCCc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.48
TDP1 Q9NUW8 5/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LCK P06239 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.42
RECQL P46063 2/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSB P07858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CASP6 P55212 2/20 0.40
NSD2 O96028 1/20 0.40
PKM P14618 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
SCHEMBL10898569 0.88 KAT8 (0.48) ALDH1A1TP53MRGPRX4TDP1POLB
SCHEMBL22032180 0.87 TSHR (0.50) ALDH1A1TP53TDP1LCKRECQL
SCHEMBL8389875 0.84 LCK (0.47) ALDH1A1TDP1POLBLCKMEN1
SCHEMBL664212 0.81 ALDH1A1 (0.55) ALDH1A1TP53MRGPRX4TDP1POLB
SCHEMBL11445345 0.79 TAAR1 (0.58) ALDH1A1TP53MRGPRX4TDP1POLB
SCHEMBL27885967 0.79 ALDH1A1 (0.53) ALDH1A1TP53MRGPRX4TDP1POLB
SCHEMBL15808849 0.79 MEN1 (0.57) ALDH1A1TP53MRGPRX4TDP1POLB
SCHEMBL27902483 0.79 ALDH1A1 (0.53) ALDH1A1TP53MRGPRX4TDP1POLB
SCHEMBL1150953 0.78 PNMT (0.55) ALDH1A1TP53MAPTMEN1KMT2A
SCHEMBL11485420 0.78 TSHR (0.47) ALDH1A1TDP1LCKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176853-A1 Adamantane derivatives ALCARAZ LILIAN 2009-07-09 US disclosed
US-20080139636-A1 Adamantane derivatives ASTRAZENECA AB. 2008-06-12 US disclosed
EP-1862451-A1 Adamantane derivatives for the treatment of inflammatory diseases AstraZeneca AB (SE) 2007-12-05 EP disclosed
US-7297818-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2007-11-20 US disclosed
CN-1312120-C Adamantane derivatives ASTRAZENECA AB (SE) 2007-04-25 CN disclosed
US-20070082957-A1 Adamantane derivatives ASTRAZENECA AB 2007-04-12 US disclosed
US-7132457-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-6881754-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2005-04-19 US disclosed
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA AB 2005-03-03 US disclosed
EP-1242364-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1352896-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1352897-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1352895-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
CN-1434794-A Adamantane derivatives ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
US-20030013704-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242364-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044170-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-21 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 (5 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-20070082957-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 ALDH1A1 282/4885TP53 3572/4885MRGPRX4 2523/4885
US-20030013704-A1 Adamantane derivatives ADRA2C, CHRNA2, ADRA1D ALDH1A1 398/4885TP53 4159/4885MRGPRX4 2622/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 ALDH1A1 328/4885TP53 3528/4885MRGPRX4 2407/4885
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease HRH1, HRH2, HRH4 ALDH1A1 126/4885TP53 3751/4885MRGPRX4 2308/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 ALDH1A1 328/4885TP53 3528/4885MRGPRX4 2407/4885

“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.