SCHEMBL2127180

SCHEMBL2127180

C=CCc1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
XDH P47989 1/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
MAPT P10636 4/20 0.38
PPARG P37231 2/20 0.38

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
SCHEMBL23527382 0.80 KDM4E (0.47) KDM4ETDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL28327455 0.78 XDH (0.49) KDM4EALDH1A1CYP3A4HPGDKMT2A
SCHEMBL9625531 0.78 ALDH1A1 (0.52) KDM4ETDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL31195248 0.77 CYP1A2 (0.54) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL621971 0.77 CYP1A2 (0.54) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL2705708 0.76 XDH (0.34) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL1116335 0.75 XDH (0.48) KDM4ETDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL4563164 0.75 XDH (0.48) KDM4ETDP1ALDH1A1CYP1A2CYP3A4
Bromide SCHEMBL28224561 0.75 CYP1A2 (0.52) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL3259762 0.75 XDH (0.58) KDM4ETDP1ALDH1A1CYP1A2CYP3A4

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-20120116050-A1 PYRENE-BASED POLYMERS FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) TECHNISCHE UNIVERSITAET GRAZ (AT) 2012-05-10 US claimed
EP-2443212-A1 PYRENE-BASED POLYMERS FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-04-25 EP claimed
WO-2010145726-A1 PYRENE-BASED POLYMERS FOR ORGANIC LIGHT EMITTING DIODES (OLEDS ) MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-12-23 WO claimed

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-20120116050-A1 PYRENE-BASED POLYMERS FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) NR1H2, NR1H3, OPRD1 KDM4E 4298/4885TDP1 1999/4885ALDH1A1 890/4885

“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.