SCHEMBL2295101

SCHEMBL2295101

C=CCc1ccc(Br)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
GABRA1 P14867 6/20 0.46
GABRB2 P47870 6/20 0.46
ALDH1A1 P00352 5/20 0.46
CNR2 P34972 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
CNR1 P21554 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH2 P05091 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARA Q07869 1/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL11561646 0.84 XDH (0.47) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL29387575 0.82 KDM1A (0.35) KDM4ENPSR1PARP1CYP1A2AR
SCHEMBL1426991 0.82 KDM1A (0.35) KDM4ENPSR1PARP1CYP1A2AR
SCHEMBL12833024 0.81 XDH (0.52) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL30917473 0.81 KDM1A (0.33) PARP1KDM1AKCNH2KDM1B
SCHEMBL8079708 0.77 KDM1A (0.37) ALDH1A1KDM4ENPSR1CYP1A2KDM1A
SCHEMBL16922694 0.76 KDM1A (0.39) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL4576820 0.76 XDH (0.68) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL1738367 0.76 ALDH1A1 (0.47) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL2297312 0.76 XDH (0.47) XDHGABRA1GABRB2ALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6025216-A None JP disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed
US-7297378-B2 Fluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-11-20 US disclosed
US-7297379-B2 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-11-20 US disclosed
US-20050258397-A1 Fluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-24 US disclosed
US-20050255258-A1 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-17 US disclosed
JP-H0625216-A 1,3-DIOXANE DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME COMPOSITION SEIKO EPSON CORP 1994-02-01 JP 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-20050255258-A1 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures SCO2, CHRM1, CBR1 XDH 964/4885GABRA1 1198/4885GABRB2 1134/4885
US-20050258397-A1 Fluorinated fused aromatics and their use in liquid-crystal mixtures AFF1, AFF2, AFF4 XDH 68/4885GABRA1 2623/4885GABRB2 3809/4885

“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.