SCHEMBL10014090

SCHEMBL10014090

CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.32
▸ DNMT1 P26358 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PDK2 Q15119 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ GSK3B P49841 3/20 0.30
▸ CCNB2 O95067 2/20 0.30
▸ CDK1 P06493 2/20 0.30
▸ CCNB1 P14635 2/20 0.30
▸ CCNB3 Q8WWL7 2/20 0.30
▸ QPCT Q16769 1/20 0.30

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
SCHEMBL782446 0.95 MDM2 (0.32) MDM2DNMT1HDAC4PDE4BALDH1A1
SCHEMBL10014086 0.94 MDM2 (0.32) MDM2DNMT1HDAC4PDE4BALDH1A1
SCHEMBL12647531 0.93 PDK2 (0.32) MDM2HDAC4PDE4BALDH1A1MAPK1
SCHEMBL8819147 0.93 PGR (0.35) DNMT1PDE4BALDH1A1PDK2PGR
SCHEMBL783405 0.90 HDAC4 (0.35) HDAC4GSK3B
SCHEMBL12647524 0.89 PDK2 (0.35) MDM2PDK2PGR
SCHEMBL28664747 0.89 PDK2 (0.34) DNMT1PDE4BALDH1A1MAPK1PDK2
SCHEMBL30860151 0.89 PDK2 (0.34) DNMT1PDE4BALDH1A1MAPK1PDK2
SCHEMBL15806114 0.88 NR1H2 (0.32) ALDH1A1GSK3BQPCT
SCHEMBL10014087 0.88 L3MBTL1 (0.41) HDAC4ALDH1A1PDK2PGRGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233923-B2 Organic compounds for organic electronic devices and terminals DUK SAN NEOLUX CO., LTD. (KR) 2016-01-12 — — US disclosed
US-9233923-B2 Organic compounds for organic electronic devices and terminals DUK SAN NEOLUX CO., LTD. (KR) 2016-01-12 — — US disclosed
US-20120018717-A1 ORGANIC ELECTRONIC DEVICE, COMPOUNDS FOR SAME, AND TERMINAL DUKSAN HIGH METAL CO., LTD. (KR) 2012-01-26 — — US disclosed
US-20120018717-A1 ORGANIC ELECTRONIC DEVICE, COMPOUNDS FOR SAME, AND TERMINAL DUKSAN HIGH METAL CO., LTD. (KR) 2012-01-26 — — 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 (1 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-20120018717-A1 ORGANIC ELECTRONIC DEVICE, COMPOUNDS FOR SAME, AND TERMINAL OR10J3, OR51E2, ESR1 MDM2 875/4885DNMT1 80/4885HDAC4 4419/4885

“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.

Send feedback