SCHEMBL16694261

SCHEMBL16694261

Nc1ccc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MAPK1 P28482 3/20 0.52
ALOX15 P16050 1/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.38
EPRS1 P07814 1/20 0.38
PTPRC P08575 2/20 0.38
APP P05067 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL28202784 0.98 ALDH1A1 (0.56) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL28281038 0.92 ALDH1A1 (0.52) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL28459830 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL30880329 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL14110641 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL6572736 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL6011390 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL28840497 0.83 HTR2A (0.42) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL5685051 0.83 ALOX15 (0.48) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL28202783 0.81 MAPT (0.44) ALDH1A1MAPK1ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871199-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-02-21 EP disclosed
EP-2871198-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-06-14 EP disclosed
US-9453103-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-27 US disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 US disclosed
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
US-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
EP-2871198-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-05-13 EP disclosed
EP-2871199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-05-13 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 (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-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, DDT ALDH1A1 2296/4885MAPK1 249/4885ALOX15 3566/4885
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, PHOSPHO1 ALDH1A1 2255/4885MAPK1 245/4885ALOX15 3638/4885

“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.