SCHEMBL5982885

SCHEMBL5982885

OC(Cc1ccccc1)Cc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.53
SIGMAR1 Q99720 3/20 0.50
MME P08473 2/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPA1 O75762 1/20 0.46
FPR2 P25090 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
CYP1A2 P05177 1/20 0.43
EPHX1 P07099 1/20 0.43
IGF1R P08069 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
SCHEMBL1833635 0.86 TRPA1 (0.55) SIGMAR1TRPA1TRPV1CYP1A2EPHX1
Ammonia Solution, Strong SCHEMBL29021310 0.84 TRPA1 (0.53) SIGMAR1TRPA1TRPV1CYP1A2EPHX1
SCHEMBL2187692 0.82 SIGMAR1 (0.49) SIGMAR1TRPA1
SCHEMBL13335507 0.82 SIGMAR1 (0.49) SIGMAR1TRPA1
SCHEMBL2185725 0.82 SIGMAR1 (0.49) SIGMAR1TRPA1
SCHEMBL3398678 0.81 IGF1R (0.57) SLC18A3SIGMAR1MMEMEN1NPC1
SCHEMBL2457986 0.80 CYP3A4 (0.46) SLC18A3SIGMAR1MME
SCHEMBL29158041 0.80 CYP3A4 (0.46) SLC18A3SIGMAR1MME
SCHEMBL5785218 0.80 MAPT (0.55) SLC18A3MMEMEN1NPC1RAB9A
Benzyl Alcohol SCHEMBL11361278 0.79 TSHR (0.70) MMETRPA1L3MBTL1

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-7129381-B2 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-10-31 US disclosed
US-20050059614-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. 2005-03-17 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-20050059614-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A2, SLC5A1, SLC2A2 SLC18A3 1376/4885SIGMAR1 1692/4885MME 2492/4885

“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.