SCHEMBL12820528

SCHEMBL12820528

CC1(C)c2cc(N)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(CC(=O)c5ccc([N+](=O)[O-])cc5)ccc3-4)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ PKM P14618 4/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ MMP8 P22894 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL12820529 0.81 MAPT (0.41) MAPTPKMGAAKMT2AMEN1
SCHEMBL14311717 0.74 PGR (0.46) MAPTLMNAALDH1A1MAPK1TSHR
SCHEMBL28257651 0.73 MAPK1 (0.49) MAPTPKMESR1CYP19A1ESR2
SCHEMBL10477098 0.70 GSK3B (0.51) MAPTPKMGAAGSK3BKMT2A
SCHEMBL29245311 0.69 MAOB (0.45) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL30937420 0.69 MAOB (0.45) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL28872876 0.68 PKM (0.62) MAPTPKMGAAGSK3BKMT2A
SCHEMBL21560519 0.68 CYP3A4 (0.45) MAPTGAAKMT2AMEN1LMNA
SCHEMBL10477111 0.68 ABCG2 (0.49) MAPTPKMGAAGSK3BKMT2A
SCHEMBL5049796 0.68 TDP1 (0.41) MAPTGAAKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910921-B2 diodes comprising 2-[7'-(2-mercapto-ethylamino)-9,9,9',9'-tetramethyl-9H,9'H-[2,2']bifluoreny-7-yl]-1-(4-nitro-phenyl)-ethanone, in contact with electrodes; rectifiers; microelectronics HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-03-22 — — US disclosed
US-20080224131-A1 Compound, a molecular switch employing the compound and a method of electronic switching HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-09-18 — — US disclosed
US-7378539-B2 Compound, a molecular switch employing the compound and a method of electronic switching HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-05-27 — — 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-20080224131-A1 Compound, a molecular switch employing the compound and a method of electronic switching BRD4, BICRA, BRD3 MAPT 1829/4885PKM 2131/4885ESR1 5/4885

“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.

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