SCHEMBL1612446

SCHEMBL1612446

[CH2]C(CCCC)c1cccc2cc3ccccc3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TACR3 P29371 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
ACE P12821 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
ALOX5 P09917 1/20 0.31
SLC6A4 P31645 1/20 0.31
CNR2 P34972 1/20 0.31
BDKRB2 P30411 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL1610202 0.95 PPARG (0.35) MEN1NPC1KMT2AATMMAPT
SCHEMBL1611041 0.94 PPARG (0.37) MEN1NPC1KMT2AATMMAPT
SCHEMBL1611322 0.90 PPARG (0.35) MEN1KMT2AATMMAPTKDM4E
SCHEMBL1060949 0.85 ALDH1A1 (0.44) KMT2AALDH1A1GAASLC6A4
SCHEMBL11385139 0.84 CYSLTR2 (0.38) MEN1NPC1KMT2AATMTACR3
SCHEMBL1487675 0.83 ALDH1A1 (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22288180 0.83 PPARG (0.44) MEN1NPC1KMT2AATMTACR3
SCHEMBL11746274 0.83 KMT2A (0.36) MEN1NPC1KMT2AATMTACR3
SCHEMBL7694470 0.81 PPARG (0.36) MEN1NPC1KMT2AATMTACR3
SCHEMBL1610469 0.81 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1SLC6A4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 MEN1 2360/4885NPC1 3543/4885KMT2A 557/4885

“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.