SCHEMBL12820530

SCHEMBL12820530

CC1(C)c2cc(N)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(Br)ccc3-4)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PDK2 Q15119 3/20 0.37
PGR P06401 3/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TDP2 O95551 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL14174148 0.93 PDK2 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL31408561 0.93 MAPT (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14305890 0.93 MAPT (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14174130 0.91 MAPT (0.44) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14508381 0.89 PDK2 (0.40) ALDH1A1PDK2PGRCYP3A4TSHR
SCHEMBL1649907 0.89 PDK2 (0.40) ALDH1A1PDK2PGRCYP3A4TSHR
SCHEMBL1648023 0.89 PDK2 (0.40) ALDH1A1PDK2PGRCYP3A4TSHR
SCHEMBL14508377 0.88 PDK2 (0.39) ALDH1A1PDK2PGRMAPK1TDP2
SCHEMBL29721570 0.86 TDP2 (0.40) ALDH1A1PDK2PGRMAPK1TDP2
SCHEMBL824163 0.86 TDP2 (0.40) ALDH1A1PDK2PGRMAPK1TDP2

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 2 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

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 ALDH1A1 1934/4885KDM4E 1350/4885MEN1 3671/4885

“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.