SCHEMBL179668

SCHEMBL179668

CNCCSSCCNC=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.44
ADH1A P07327 4/20 0.44
ADH7 P40394 3/20 0.44
ADH1C P00326 3/20 0.41
EPHX1 P07099 1/20 0.39
ADH4 P08319 1/20 0.39
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10978329 0.87 ADH1B (0.48) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL13083513 0.79 PRMT3 (0.35) EPHX1CA1CA2LMNA
SCHEMBL18870730 0.78 ADH1B (0.48) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL12619033 0.78
SCHEMBL1307052 0.76
SCHEMBL13511599 0.76 THPO (0.48) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL21558010 0.76 ADH1B (0.39) ADH1BADH1AADH7ADH1CEPHX1
Hydrochloric Acid SCHEMBL27219409 0.76 CA1 (0.33) EPHX1CA1CA2LMNA
SCHEMBL16299187 0.74 TSHR (0.54) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL13986416 0.74

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
WO-2018102769-A1 TREATMENT OF CANCER BLUELINK PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed
US-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-08 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-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ADH1B 3376/4885ADH1A 1910/4885ADH7 2892/4885

“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.