SCHEMBL12440938

SCHEMBL12440938

Cc1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR2 O43614 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1D P28221 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
SCHEMBL13174556 1.00 ALDH1A1 (0.45) ALDH1A1TSHRPOLBRAPGEF4MEN1
SCHEMBL46864 0.95 POLB (0.38) ALDH1A1TSHRPOLBRAPGEF4MEN1
SCHEMBL3057784 0.95 POLB (0.38) ALDH1A1TSHRPOLBRAPGEF4MEN1
SCHEMBL1116041 0.93 RAPGEF4 (0.40) ALDH1A1TSHRPOLBRAPGEF4HDAC8
SCHEMBL15304825 0.93 RAPGEF4 (0.40) ALDH1A1TSHRPOLBRAPGEF4HDAC8
SCHEMBL2607267 0.91 TSHR (0.50) ALDH1A1TSHRPOLBHCRTR2HDAC8
SCHEMBL12018768 0.91 TSHR (0.50) ALDH1A1TSHRPOLBHCRTR2HDAC8
SCHEMBL15854825 0.90 RXRB (0.35) ALDH1A1POLBHDAC8NPC1RAB9A
SCHEMBL15854822 0.90 RXRB (0.35) ALDH1A1POLBHDAC8NPC1RAB9A
SCHEMBL1087423 0.90 RXRB (0.35) ALDH1A1POLBHDAC8NPC1RAB9A

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-1892256-B1 AROMATIC POLYMER SUMITOMO CHEMICAL CO (JP) 2014-03-19 EP 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-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 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 ALDH1A1 618/4885TSHR 4526/4885POLB 3997/4885

“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.