SCHEMBL9949418

SCHEMBL9949418

CCCCCCCCCCCNCC(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
ANPEP P15144 1/20 0.52
ERAP2 Q6P179 1/20 0.52
EPHX1 P07099 8/20 0.46
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL27575789 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL8686086 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL10398805 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL8109480 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL4141309 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL8685807 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL4286294 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL8685954 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL21541577 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1
SCHEMBL3854136 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782921-B1 ORGANIC TUNGSTEN COMPLEXES VANDERBILT CHEMICALS LLC (US) 2018-05-02 EP disclosed
EP-2782921-A1 ORGANIC TUNGSTEN COMPLEXES Vanderbilt Chemicals, LLC (US) 2014-10-01 EP disclosed
US-8669386-B2 Organic tungsten complexes VANDEBILT CHEMICALS, LLC (US) 2014-03-11 US disclosed
WO-2013077948-A1 ORGANIC TUNGSTEN COMPLEXES VANDERBILT CHEMICALS, LLC. (US) 2013-05-30 WO disclosed
US-20120165563-A1 ORGANIC TUNGSTEN COMPLEXES R.T. VANDERBILT COMPANY, INC. 2012-06-28 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-20120165563-A1 ORGANIC TUNGSTEN COMPLEXES ADH5, ELOVL5, ALOX5 ALDH1A1 275/4885TSHR 4095/4885ANPEP 4834/4885

“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.