SCHEMBL12440951

SCHEMBL12440951

Cc1cccc(Br)c1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SCN4A P35499 9/20 0.41
LMNA P02545 2/20 0.41
SCN1A P35498 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
NFKB1 P19838 2/20 0.41
MAOA P21397 2/20 0.41
SCN8A Q9UQD0 2/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
KCNK3 O14649 1/20 0.41
CACNA1F O60840 1/20 0.41
KCNK2 O95069 1/20 0.41
GBA1 P04062 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 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
SCHEMBL104735 0.84 SCN4A (0.48) ALDH1A1SCN4ALMNASCN1ASCN5A
SCHEMBL5733263 0.82 ALDH1A1 (0.43) ALDH1A1SCN4ALMNASCN1ASCN5A
SCHEMBL13429940 0.79 GABRA1 (0.32) ALDH1A1
SCHEMBL3319646 0.79 ENPP2 (0.34) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL26162641 0.78 MCHR1 (0.35) ALDH1A1LMNACYP3A4MAOATSHR
SCHEMBL31535211 0.78 NPC1 (0.35) ALDH1A1LMNANFKB1SLC6A4
SCHEMBL16606241 0.77 SCN4A (0.42) ALDH1A1SCN4ALMNASCN1ASCN5A
SCHEMBL31076516 0.76 GABRA1 (0.34) LMNACYP1A2CYP2D6NFKB1MAOA
SCHEMBL1364824 0.76 ALDH1A1 (0.50) ALDH1A1SCN4ALMNASCN1ASCN5A
SCHEMBL29427079 0.76 ALDH1A1 (0.50) ALDH1A1SCN4ALMNASCN1ASCN5A

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 5 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
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 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
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 ALDH1A1 618/4885SCN4A 258/4885LMNA 331/4885
US-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1776/4885SCN4A 806/4885LMNA 3685/4885

“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.