SCHEMBL17093240

SCHEMBL17093240

CC1(C)O[C@H](CCO)[C@H](c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HCRTR2 O43614 10/20 0.37
HCRTR1 O43613 7/20 0.37
ALDH1A1 P00352 2/20 0.35
TBXA2R P21731 1/20 0.35
SLC18A3 Q16572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL16808524 1.00 CYP3A4 (0.40) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL18802267 1.00 CYP3A4 (0.40) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL17093290 1.00 CYP3A4 (0.40) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL18801954 0.86 CYP3A4 (0.42) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL14626066 0.86 CYP3A4 (0.42) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL16808485 0.86 CYP3A4 (0.42) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL5331015 0.86 CYP3A4 (0.42) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL16808428 0.81 TP53 (0.36) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL16808575 0.81 TP53 (0.36) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1
SCHEMBL18176799 0.80 CYP3A4 (0.39) CYP3A4MAPK1HCRTR2HCRTR1ALDH1A1

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-9221783-B2 Phenylalkyl sulfamate compound and muscle relaxant composition comprising the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-12-29 US disclosed
US-20150266848-A1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-09-24 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-20150266848-A1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME MYLK, MUSK, MYLK2 CYP3A4 1619/4885MAPK1 3470/4885HCRTR2 1026/4885

“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.