SCHEMBL756282

SCHEMBL756282

CCCCOC(C)COCC1CO1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.38
PDK1 Q15118 1/20 0.33

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
SCHEMBL28657402 0.90 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL15430918 0.84 TSHR (0.50) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL40032 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL8395126 0.81 TSHR (0.50) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28259378 0.81 TSHR (0.50) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28552663 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ammonia Solution, Strong SCHEMBL28794546 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL28203785 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27722135 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL19820320 0.80 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
EP-2552996-B1 ORGANOSILICONES PROCTER & GAMBLE (US) 2019-05-22 EP disclosed
US-20170183452-A1 ORGANOSILICONES PROCTER & GAMBLE (US) 2017-06-29 US disclosed
US-9650593-B2 Organosilicones THE PROCTER & GAMBLE COMPANY (US) 2017-05-16 US disclosed
US-20160060581-A1 ORGANOSILICONES PROCTER & GAMBLE (US) 2016-03-03 US disclosed
US-9212338-B2 Organosilicones THE PROCTER & GAMBLE COMPANY (US) 2015-12-15 US disclosed
US-20150093350-A1 ORGANOSILICONES PROCTER & GAMBLE (US) 2015-04-02 US disclosed
US-8940284-B2 Organosilicones THE PROCTER & GAMBLE COMPANY (US) 2015-01-27 US disclosed
EP-2552996-A2 ORGANOSILICONES The Procter & Gamble Company (US) 2013-02-06 EP disclosed
US-20120052039-A1 Organosilicones THE PROCTER & GAMBLE COMPANY 2012-03-01 US disclosed
WO-2011123727-A2 ORGANOSILICONES THE PROCTER & GAMBLE COMPANY (US) 2011-10-06 WO disclosed
US-20110243878-A1 ORGANOSILICONES THE PROCTER & GAMBLE COMPANY 2011-10-06 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 (3 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-20150093350-A1 ORGANOSILICONES NISCH, XRCC6, RAD50 SMN1; SMN2 221/4885ALDH1A1 2605/4885TDP1 658/4885
US-20120052039-A1 Organosilicones NISCH, XRCC6, RAD50 SMN1; SMN2 221/4885ALDH1A1 2605/4885TDP1 658/4885
US-20110243878-A1 ORGANOSILICONES NISCH, XRCC6, RAD50 SMN1; SMN2 221/4885ALDH1A1 2605/4885TDP1 658/4885

“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.