SCHEMBL17836992

SCHEMBL17836992

CC(C)(O)c1ccc(Br)cc1-c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PTPRC P08575 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16219736 0.88 AKR1C3 (0.37) KCNJ11CYP2C9CYP2C19PPARGPPARD
SCHEMBL17852133 0.85 MEN1 (0.40) KCNJ11CYP2C19CYP2A6ALDH1A1HPGD
SCHEMBL293550 0.84 PPARG (0.41) CYP2C9CYP2C19PPARGPPARDPPARA
SCHEMBL18311778 0.82 HPGD (0.48) KCNJ11CYP2C9CYP2C19PPARGPPARA
SCHEMBL10010552 0.82 PPARG (0.42) CYP2C9CYP2C19PPARGPPARDPPARA
SCHEMBL16340777 0.81 HPRT1 (0.39) KCNJ11CYP2C9CYP2C19CYP2A6ALDH1A1
SCHEMBL10299008 0.77 PPARG (0.46) CYP2C9CYP2C19PPARGPPARDPPARA
SCHEMBL17852129 0.76 CYP2A6 (0.47) SLC22A12CYP2A6AKR1C3AKR1C2HDAC8
SCHEMBL1559816 0.76 ALDH1A1 (0.45) CYP2C9CYP2C19PPARGPPARDPPARA
SCHEMBL25056780 0.76 CYP2A6 (0.45) CYP2A6KDM4EALDH1A1HPGDCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180182972-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-06-28 US disclosed
WO-2016200070-A2 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2016-12-15 WO disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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 (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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, H1-10, H1-0 KCNJ11 348/4885CYP2C9 1150/4885CYP2C19 1635/4885
US-20180182972-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 KCNJ11 40/4885CYP2C9 578/4885CYP2C19 677/4885

“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.