SCHEMBL12355152

SCHEMBL12355152

CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@H]21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PABPC1 P11940 1/20 0.47
BCL2 P10415 1/20 0.47
POLB P06746 1/20 0.46
TDP2 O95551 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL12355151 1.00 MEN1 (0.49) MEN1KMT2APABPC1BCL2POLB
SCHEMBL1478400 0.85 L3MBTL1 (0.40) ALDH1A1
SCHEMBL1478396 0.85 L3MBTL1 (0.40) ALDH1A1
SCHEMBL12749279 0.85 L3MBTL1 (0.40) ALDH1A1
SCHEMBL1478395 0.85 L3MBTL1 (0.40) ALDH1A1
SCHEMBL10900104 0.85 BCL2 (0.47) MEN1KMT2APABPC1BCL2POLB
SCHEMBL17107533 0.82 HCRTR2 (0.42) ALDH1A1CYP3A4CYP2C19
SCHEMBL12827760 0.82 TSHR (0.47) MEN1KMT2APOLBALDH1A1TP53
SCHEMBL1478271 0.82 TSHR (0.47) MEN1KMT2APOLBALDH1A1TP53
SCHEMBL1477903 0.82 TSHR (0.47) MEN1KMT2APOLBALDH1A1TP53

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-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 US disclosed
US-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 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-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR ADRA2C, ADRB2, ADRA2A MEN1 4412/4885KMT2A 4242/4885PABPC1 2299/4885

“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.