SCHEMBL12440948

SCHEMBL12440948

CCCOc1cc(C)cc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 2/20 0.37
LTA4H P09960 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL12968212 0.90 DRD2 (0.41) TP53ALOX15LTA4HALDH1A1HTT
SCHEMBL11949128 0.87 LTA4H (0.41) ELANETP53MAPTLTA4HHPGD
SCHEMBL20148280 0.87 PLA2G2A (0.47) TP53ALOX15LTA4HALDH1A1HTT
SCHEMBL14489702 0.85 ELANE (0.49) ELANETP53ALOX15LTA4HPTGS1
SCHEMBL9123683 0.85 ELANE (0.49) ELANETP53ALOX15MAPTLTA4H
SCHEMBL13144454 0.83 NQO1 (0.42) TP53MAPTLTA4HHPGDALDH1A1
Ammonia Solution, Strong SCHEMBL9119760 0.83 ELANE (0.47) ELANETP53ALOX15MAPTLTA4H
SCHEMBL17547160 0.82 TP53 (0.47) TP53ALOX15MAPTHPGDALDH1A1
SCHEMBL13429872 0.78 MAPT (0.36) ELANETP53MAPTLTA4HHPGD
SCHEMBL18704569 0.78 MAPT (0.47) ELANEMAPTLTA4HHPGDMAOB

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-9318706-B2 Laminated structure, method for producing same, and electronic element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 ELANE 942/4885TP53 3701/4885ALOX15 1192/4885

“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.