SCHEMBL983185

SCHEMBL983185

CCCCc1c(C=O)cccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.51
ERN1 O75460 1/20 0.51
TLR1 Q15399 1/20 0.51
TLR6 Q9Y2C9 1/20 0.51
SRC P12931 1/20 0.44
SLC2A1 P11166 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9176154 0.90 ERN1 (0.54) TLR2ERN1TLR1TLR6SRC
SCHEMBL10470079 0.84 PTAFR (0.48) TLR2ERN1TLR1TLR6SRC
SCHEMBL1494208 0.83 ERN1 (0.58) TLR2ERN1TLR1TLR6SRC
SCHEMBL6898660 0.82 ALOX5 (0.53) SLC2A1ALOX5PTGS2ALDH1A1LMNA
SCHEMBL14222446 0.79 TLR2 (0.50) TLR2ERN1TLR1TLR6SRC
Propionaldehyde SCHEMBL27830455 0.79 ALOX5 (0.51) SLC2A1ALOX5PTGS2PPARAELANE
SCHEMBL2432372 0.78 ALDH1A1 (0.43) TLR2ERN1TLR1TLR6SLC2A1
SCHEMBL9227782 0.78 TLR2 (0.53) TLR2ERN1TLR1TLR6SRC
SCHEMBL27464370 0.78 LIPG (0.40) ALOX5PTGS2ALDH1A1LMNACYP2C9
Pentadecane SCHEMBL27708688 0.78 ALDH1A1 (0.55) TLR2ERN1TLR1TLR6ALDH1A1

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-8044067-B2 Isoquinolines as IGF-1R inhibitors ANALYTECON S.A. (CH) 2011-10-25 US disclosed
EP-1931636-B1 ISOQUINOLINES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2011-04-13 EP disclosed
US-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US disclosed
US-20090099229-A1 Isoquinolines as IGF-1R Inhibitors ANALYTECON S.A (CH) 2009-04-16 US disclosed
EP-1732898-B1 TETRAHYDROISOQUINOLINE- AND TETRAHYDROBENZAZEPINE DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2008-01-23 EP disclosed
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors ANALYTECON S.A. (CH) 2007-06-07 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 (2 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-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors IGF1R, INSR, GPR119 TLR2 481/4885ERN1 2489/4885TLR1 1818/4885
US-20090099229-A1 Isoquinolines as IGF-1R Inhibitors IGF1R, IGFBP1, IGF2BP1 TLR2 2216/4885ERN1 1619/4885TLR1 2597/4885

“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.