SCHEMBL16670301

SCHEMBL16670301

Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4ccc5cc(O)ccc5c4)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.47
ESR2 Q92731 12/20 0.46
ESR1 P03372 11/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B1 P14061 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B2 P37059 1/20 0.42
HSP90AA1 P07900 1/20 0.41
ABL1 P00519 2/20 0.40
ABCB1 P08183 2/20 0.40
BCR P11274 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL18184906 0.87 PDK2 (0.52) PDK2ESR2ESR1KDM4EMEN1
SCHEMBL25026531 0.87 ESR2 (0.49) PDK2ESR2ESR1CYP1A2CYP3A4
SCHEMBL26250566 0.86 ESR2 (0.56) PDK2ESR2ESR1CYP1A2CYP3A4
SCHEMBL14506088 0.86 ESR2 (0.56) PDK2ESR2ESR1CYP1A2CYP3A4
SCHEMBL16176940 0.86 PDK2 (0.55) PDK2ESR2ESR1KDM4EMEN1
SCHEMBL29615782 0.86 PDK2 (0.55) PDK2ESR2ESR1KDM4EMEN1
SCHEMBL29375118 0.86 PDK2 (0.55) PDK2ESR2ESR1KDM4EMEN1
SCHEMBL29756627 0.86 PDK2 (0.55) PDK2ESR2ESR1KDM4EMEN1
SCHEMBL16177483 0.86 PDK2 (0.55) PDK2ESR2ESR1KDM4EMEN1
SCHEMBL29493741 0.86 PDK2 (0.55) PDK2ESR2ESR1KDM4EMEN1

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 PDK2 3733/4885ESR2 16/4885ESR1 20/4885
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE AR, CCND3, ESRRA PDK2 3652/4885ESR2 13/4885ESR1 17/4885

“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.