SCHEMBL1610799

SCHEMBL1610799

[CH]=C(CCCC)c1cccc2cc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CNR2 P34972 11/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 1/20 0.35
RECQL P46063 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
SCHEMBL1611553 0.95 KDM4E (0.45) KDM4EALDH1A1GAAGABRA1GABRB2
SCHEMBL1610986 0.94 ALDH1A1 (0.44) KDM4EALDH1A1GAAGABRA1GABRB2
SCHEMBL1611895 0.92 KDM4E (0.50) KDM4EALDH1A1GAAGABRA1GABRB2
SCHEMBL1611135 0.85 CNR2 (0.47) KDM4EALDH1A1CNR2LMNACNR1
SCHEMBL1610203 0.83 ALDH1A1 (0.51) KDM4EALDH1A1GAAGABRA1GABRB2
SCHEMBL28879919 0.81 ALDH1A1 (0.54) KDM4EALDH1A1GAAGABRA1GABRB2
SCHEMBL1610685 0.81 CNR2 (0.48) KDM4EALDH1A1CNR2LMNACNR1
SCHEMBL1612234 0.79 CNR2 (0.49) CNR2CNR1CYP2C9
SCHEMBL1611743 0.76 MEN1 (0.47) KDM4EALDH1A1CNR2LMNACNR1
SCHEMBL21834972 0.76 ALDH1A1 (0.51) KDM4EALDH1A1GAAGABRA1GABRB2

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 KDM4E 1272/4885ALDH1A1 137/4885GAA 4626/4885

“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.