SCHEMBL19136014

SCHEMBL19136014

[CH]1c2ccccc2-c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
PTPRC P08575 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 3/20 0.42
S100A4 P26447 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
BCHE P06276 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
CES1 P23141 2/20 0.42
RECQL P46063 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
APAF1 O14727 2/20 0.42
TDP2 O95551 2/20 0.42

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
SCHEMBL18426 0.96 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APTPRCSMN1; SMN2
SCHEMBL3769766 0.86 MEN1 (0.55) ALDH1A1MEN1KMT2APTPRCSMN1; SMN2
SCHEMBL28648607 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APTPRCSMN1; SMN2
SCHEMBL29263739 0.84 LMNA (0.37) ALDH1A1MEN1KMT2APTPRCSMN1; SMN2
SCHEMBL1651619 0.76
SCHEMBL504078 0.76 MEN1 (0.46) ALDH1A1MEN1KMT2APTPRCSMN1; SMN2
SCHEMBL568780 0.76 MEN1 (0.46) ALDH1A1MEN1KMT2APTPRCSMN1; SMN2
SCHEMBL217953 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APTPRCLMNA
SCHEMBL11875421 0.76 MEN1 (0.61) ALDH1A1MEN1KMT2APTPRCSMN1; SMN2
SCHEMBL58152 0.76 MEN1 (0.61) ALDH1A1MEN1KMT2APTPRCSMN1; SMN2

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
CN-107011181-B Novel compound and organic electronic device comprising same 上海嵘彩光电材料有限公司 2020-09-15 CN disclosed
US-10431751-B2 Compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-10-01 US disclosed
US-10326087-B2 Compound and organic electronic device comprising the same NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-06-18 US disclosed
CN-107011183-B Novel compound and organic electronic device comprising same 彩丰精技股份有限公司 2019-05-24 CN disclosed
CN-107011181-A Novel compound and organic electronic device comprising same 彩丰精技股份有限公司 2017-08-04 CN disclosed
CN-107011183-A Novel compound and organic electronic device comprising same 彩丰精技股份有限公司 2017-08-04 CN disclosed
US-20170213970-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 US disclosed
US-20170213972-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 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 (4 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-10326087-B2 Compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 ALDH1A1 396/4885MEN1 314/4885KMT2A 836/4885
US-20170213972-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 ALDH1A1 609/4885MEN1 346/4885KMT2A 929/4885
US-10431751-B2 Compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 ALDH1A1 412/4885MEN1 305/4885KMT2A 927/4885
US-20170213970-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 ALDH1A1 777/4885MEN1 251/4885KMT2A 958/4885

“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.