SCHEMBL1638849

SCHEMBL1638849

CC(C)c1cccc(C(C)C)c1/N=C(/c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 7/20 0.39
CTSB P07858 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
C1S P09871 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL12646934 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL1638850 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL12647006 0.90 CTSL (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL1638856 0.90 CTSL (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL1638855 0.90 CTSL (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL12765490 0.88 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL18489441 0.87 LMNA (0.50) ALDH1A1LMNAKMT2AGAAHPGD
SCHEMBL5493151 0.84 GABRA1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL1638479 0.82 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1CASP3
SCHEMBL12726482 0.82 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1CASP3

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 4 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
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
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 SMN1; SMN2 4182/4885NPC1 2506/4885RAB9A 4677/4885

“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.