SCHEMBL16670486

SCHEMBL16670486

Brc1cccc2c1-c1cccc3cccc-2c13

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPK1 P28482 4/20 0.54
TSHR P16473 3/20 0.54
ATM Q13315 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
HIF1A Q16665 1/20 0.48
CES2 O00748 1/20 0.44
BCHE P06276 1/20 0.44
CES1 P23141 1/20 0.44
MCL1 Q07820 1/20 0.44
CYP3A4 P08684 2/20 0.43
PABPC1 P11940 2/20 0.43
DNMT1 P26358 2/20 0.43
TYMS P04818 2/20 0.41
CYP1B1 Q16678 2/20 0.40

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
SCHEMBL17283531 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL5008910 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL31713020 0.77 CA1 (0.48) ALDH1A1HSD17B10MAPK1L3MBTL1HPGD
SCHEMBL23709241 0.76 ALDH1A1 (0.65) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL19237177 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL7606252 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL4540171 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL24990981 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRATM
Ammonia Solution, Strong SCHEMBL27626211 0.74 ALDH1A1 (0.81) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL2199764 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRATM

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-3368520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
US-11355714-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-07 US disclosed
US-20190058133-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-02-21 US disclosed
US-9876174-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2018-01-23 US disclosed
US-9716233-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-25 US disclosed
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE LG CHEM, LTD. (KR) 2017-07-13 US disclosed
US-20160268514-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-15 US disclosed
WO-2015061074-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-30 WO 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-20160268514-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE NR0B1, AR, NR0B2 ALDH1A1 921/4885HSD17B10 195/4885MAPK1 1952/4885
US-11355714-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2A1, SLCO2B1 ALDH1A1 1315/4885HSD17B10 2582/4885MAPK1 1572/4885
US-20190058133-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, SLCO2B1 ALDH1A1 1315/4885HSD17B10 2582/4885MAPK1 1572/4885
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE AR, CCND3, ESRRA ALDH1A1 1666/4885HSD17B10 2400/4885MAPK1 1912/4885

“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.