SCHEMBL9891656

SCHEMBL9891656

Bc1cccc(C(OCC)OCC)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.37
ACHE P22303 7/20 0.37
BCHE P06276 6/20 0.37
LMNA P02545 1/20 0.32
FFAR1 O14842 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7926083 0.78 AOC3 (0.44) PTGS2ACHEBCHEFFAR1ALDH1A1
SCHEMBL3871619 0.77 CYP3A4 (0.48) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL6204158 0.77 AOC3 (0.45) ACHEFFAR1
SCHEMBL8309641 0.77 PTGS2 (0.37) PTGS2ACHEBCHE
SCHEMBL31175995 0.77 IDO1 (0.43) PTGS2ACHEBCHEALDH1A1
SCHEMBL3141582 0.77 IDO1 (0.43) PTGS2ACHEBCHEALDH1A1
SCHEMBL6155751 0.77 AOC3 (0.45) FFAR1MEN1KMT2A
SCHEMBL5377867 0.77 HIF1A (0.49) PTGS2ACHEBCHELMNARAB9A
SCHEMBL27830263 0.76 MEN1 (0.41) PTGS2ACHEBCHELMNAMEN1
Bromide SCHEMBL28174072 0.76 PTGS2 (0.36) PTGS2ACHEBCHEL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142915-A1 CYCLOPROPYL MIDA BORONATE MIDCAP FINANCIAL TRUST 2012-06-07 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-20120142915-A1 CYCLOPROPYL MIDA BORONATE MB, MMAB, MDK PTGS2 3980/4885ACHE 4294/4885BCHE 639/4885

“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.