SCHEMBL18117635

SCHEMBL18117635

O=[N+]([O-])c1ccc(-c2c(O)cccc2O)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
GPR35 Q9HC97 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BAX Q07812 2/20 0.46
LMNA P02545 1/20 0.46
CXCR2 P25025 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.45
CXCR1 P25024 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PTPRC P08575 3/20 0.43
S100A4 P26447 2/20 0.43

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
SCHEMBL11050883 0.80 PTPRC (0.57) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL144190 0.77 ALDH1A1 (0.62) TSHRALDH1A1ALOX15GPR35TP53
Bromide SCHEMBL8457695 0.75 ALDH1A1 (0.60) TSHRALDH1A1ALOX15GPR35TP53
SCHEMBL27985956 0.75 POLB (0.58) TSHRALDH1A1HPGDLMNAMEN1
SCHEMBL11028069 0.74 GPR35 (0.69) TSHRALDH1A1ALOX15GPR35TP53
SCHEMBL27401673 0.74 GPR35 (0.54) TSHRALDH1A1ALOX15GPR35TP53
SCHEMBL526702 0.73 GPR35 (0.62) TSHRALDH1A1ALOX15GPR35TP53
Dinitrophenylene SCHEMBL27691692 0.71 TSHR (0.74) TSHRALDH1A1ALOX15GPR35TP53
SCHEMBL31463569 0.71 CYP19A1 (0.57) LMNAMEN1KMT2A
SCHEMBL30317899 0.70 PTPRC (0.54) TSHRALDH1A1GPR35TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10043980-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-08-07 US disclosed
US-20160293847-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-06 US disclosed
US-20160293847-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-06 US disclosed
EP-3075731-A1 PHENANTHRO[4,5-BCA]FURAN COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2016-10-05 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-10043980-B2 Compound and organic light-emitting device including the same OCIAD1, AOX1, CRY1 TSHR 3805/4885ALDH1A1 6/4885ALOX15 456/4885
US-20160293847-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OCIAD1, AOX1, CRY1 TSHR 3805/4885ALDH1A1 6/4885ALOX15 456/4885

“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.