SCHEMBL1637548

SCHEMBL1637548

Oc1c(-c2ccccc2)cccc1C(c1ccccc1)c1cccc(-c2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSK P43235 1/20 0.41
PDK2 Q15119 1/20 0.37
GRM5 P41594 2/20 0.37
KAT6A Q92794 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TGFBR1 P36897 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
KDR P35968 1/20 0.35
CNR1 P21554 1/20 0.35
CYP2A6 P11509 1/20 0.35
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34
FFAR1 O14842 1/20 0.34
HNF4A P41235 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34

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
SCHEMBL1639166 0.83 CTSL (0.41) CTSLCTSKKAT6ASLC6A2SLC6A4
SCHEMBL21529184 0.76 SLC6A3 (0.66) CTSLCTSKKAT6ASLC6A2SLC6A4
SCHEMBL16800591 0.74 TGFBR1 (0.47) GRM5TGFBR1KDRCYP2A6HNF4A
SCHEMBL12646925 0.71 MET (0.40) CTSLCTSKSLC6A2SLC6A4SLC6A3
SCHEMBL12726015 0.71 ACP3 (0.41) HNF4ALMNA
SCHEMBL30525703 0.70 ALDH1A1 (0.50) GRM5TGFBR1KDRCYP2A6HNF4A
SCHEMBL9261215 0.70 CTSK (0.50) CTSLCTSKGRM5TGFBR1HTR1A
SCHEMBL1638882 0.69 CTSL (0.41) CTSLCTSK
SCHEMBL9974912 0.69 TGFBR1 (0.49) GRM5KAT6ATGFBR1HTR1AHTR7
SCHEMBL1637966 0.69 CHRM2 (0.39) SLC6A2SLC6A4SLC6A3HTR1AHNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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 (1 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-20110098429-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 CTSL 3353/4885CTSK 2816/4885PDK2 1666/4885

“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.