SCHEMBL16670536

SCHEMBL16670536

O=C1C(c2cccc(Br)c2)=C2C(=C1c1cccc(Br)c1)c1cccc3cccc2c13

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CES2 O00748 1/20 0.47
BCHE P06276 1/20 0.47
CES1 P23141 1/20 0.47
MCL1 Q07820 1/20 0.47
MAOB P27338 3/20 0.43
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
CYP3A4 P08684 1/20 0.42
PABPC1 P11940 1/20 0.42
DNMT1 P26358 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TYMS P04818 2/20 0.40
PARP1 P09874 1/20 0.39
CAMK2D Q13557 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL728673 0.83 ALDH1A1 (0.50) ALDH1A1CES2BCHECES1MCL1
SCHEMBL75606 0.80 ALDH1A1 (0.56) ALDH1A1CES2BCHECES1MCL1
SCHEMBL29773784 0.80 ALDH1A1 (0.56) ALDH1A1CES2BCHECES1MCL1
SCHEMBL29316327 0.80 ALDH1A1 (0.46) ALDH1A1CES2BCHECES1MCL1
SCHEMBL29826290 0.77 NPC1 (0.46) ALDH1A1MAOBMAPTMEN1KMT2A
SCHEMBL22837589 0.75 ALDH1A1 (0.47) ALDH1A1CES2BCHECES1MCL1
SCHEMBL14820740 0.75 ALDH1A1 (0.48) ALDH1A1CES2BCHECES1MCL1
SCHEMBL24079119 0.72 ALDH1A1 (0.48) ALDH1A1CES2BCHECES1MCL1
SCHEMBL28862846 0.72 MAOB (0.42) ALDH1A1MAOBCASP1CASP7MAPT
SCHEMBL18845637 0.71 ALDH1A1 (0.48) ALDH1A1CES2BCHECES1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9876174-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2018-01-23 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-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-9716233-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-25 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-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE LG CHEM, LTD. (KR) 2017-07-13 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
US-20160268514-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-15 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
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 (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-20160268514-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE NR0B1, AR, NR0B2 ALDH1A1 921/4885CES2 3045/4885BCHE 4629/4885
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE AR, CCND3, ESRRA ALDH1A1 1666/4885CES2 3775/4885BCHE 4633/4885

“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.