SCHEMBL9925404

SCHEMBL9925404

C[C@H]1[C@H](OCc2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)O[C@H]1COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.48
NT5E P21589 1/20 0.46
PTPN1 P18031 6/20 0.46
CDC25B P30305 6/20 0.46
SLC6A2 P23975 2/20 0.45
SSTR4 P31391 2/20 0.45
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
TACR2 P21452 1/20 0.45
PTPN2 P17706 2/20 0.44
PTPN6 P29350 2/20 0.44
PTPN11 Q06124 2/20 0.44

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
SCHEMBL13308240 0.90 NT5E (0.48) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL5466098 0.89 GJB2 (0.56) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL14414817 0.89 GJB2 (0.56) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL8221413 0.88 NT5E (0.54) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL10523689 0.88 NT5E (0.54) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL18744555 0.88 NT5E (0.54) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL977852 0.88 NT5E (0.54) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL10523693 0.88 NT5E (0.54) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL12136337 0.87 PTPN1 (0.48) GJB2NT5EPTPN1CDC25BSLC6A2
SCHEMBL19337558 0.87 SLC6A2 (0.46) GJB2NT5EPTPN1CDC25BSLC6A2

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-9624255-B2 Carbohydrate-mediated tumor targeting ARIZONA BOARD OF REGENTS (US) 2017-04-18 US disclosed
US-20120148502-A1 Carbohydrate-Mediated Tumor Targeting Arizona Board of Regents, a body corporate of the State of Ariz. acting for and on behalf of Ariz. (US) 2012-06-14 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-20120148502-A1 Carbohydrate-Mediated Tumor Targeting CA14, CA13, CA12 GJB2 3860/4885NT5E 4198/4885PTPN1 3098/4885

“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.