SCHEMBL236293

SCHEMBL236293

COC(=O)c1cc(I)ccc1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 4/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SLC6A3 Q01959 2/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH1 P35367 1/20 0.48
PDE4D Q08499 1/20 0.48
KDM4E B2RXH2 7/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPT P10636 5/20 0.45
ALOX15 P16050 1/20 0.45
AKR1C3 P42330 1/20 0.44

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
SCHEMBL15326189 0.83 CA12 (0.50) TSHRLMNAHPGDALDH1A1KDM4E
SCHEMBL31585831 0.83 CA12 (0.50) TSHRLMNAHPGDALDH1A1KDM4E
SCHEMBL20757754 0.82 AKR1C3 (0.62) ALDH1A1KDM4EHSD17B10AKR1C3ATM
SCHEMBL27840685 0.81 TSHR (0.63) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL29363206 0.81 TSHR (0.63) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL28000 0.81 TSHR (0.63) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL8380470 0.81 TSHR (0.50) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL235942 0.81 MAPT (0.59) TSHRMAPK1LMNAHPGDALDH1A1
Benzophenone SCHEMBL29531226 0.80 TSHR (0.61) TSHRMAPK1LMNAHPGDALDH1A1
Water SCHEMBL27735757 0.80 TSHR (0.61) TSHRMAPK1LMNAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035358-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SE) 2013-02-07 US disclosed
EP-2545036-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2013-01-16 EP disclosed
CN-102348686-A Bis aromatic compounds for use as ltc4 synthase inhibitors BIOLIPOX AB (SE) 2012-02-08 CN disclosed
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
WO-2011110824-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2011-09-15 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 (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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R TSHR 3028/4885MAPK1 2441/4885LMNA 759/4885
US-20130035358-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R TSHR 3028/4885MAPK1 2441/4885LMNA 759/4885

“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.