SCHEMBL2890368

SCHEMBL2890368

COC(=O)c1cc(C(=O)c2ccc(Br)cc2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HPGD P15428 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6931187 0.91 CYP1A2 (0.63) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL8809883 0.86 CYP1A2 (0.63) ALDH1A1MAPTNPSR1LMNARAB9A
SCHEMBL30361998 0.84 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL392403 0.84 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL2892460 0.83 CA12 (0.56) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL1009826 0.82 CYP1A2 (0.79) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL31148879 0.82 CYP1A2 (0.79) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL5169870 0.82 MAPT (0.64) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL29678875 0.82 MAPT (0.64) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL559536 0.82 MAPT (0.50) ALDH1A1MAPTKMT2ANPSR1LMNA

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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION 2010-11-11 US disclosed
CN-101835741-A Bis-aromatic compounds useful in the treatment of inflammation BIOLIPOX AB 2010-09-15 CN disclosed
EP-2185504-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2010-05-19 EP disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 WO 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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION LTC4S, LTB4R2, LTB4R ALDH1A1 760/4885MAPT 3432/4885KMT2A 4223/4885

“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.