SCHEMBL21473692

SCHEMBL21473692

COCCCOCCCC(C)N

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 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
SCHEMBL5271914 0.91
SCHEMBL28919270 0.88 OPRM1 (0.50) OPRM1ALDH1A1TDP1TP53
SCHEMBL17722707 0.81 PIK3CD (0.38) ALDH1A1
SCHEMBL7947743 0.81 OPRM1 (0.50) OPRM1ALDH1A1TDP1TP53
SCHEMBL18403007 0.79 HTT (0.31)
SCHEMBL21501036 0.78 OPRM1 (0.38) OPRM1ALDH1A1TDP1TP53
SCHEMBL24543339 0.77 OPRM1 (0.36) OPRM1ALDH1A1TDP1
SCHEMBL12702655 0.77 OPRM1 (0.41) OPRM1ALDH1A1TDP1TP53
SCHEMBL11477603 0.77 OPRM1 (0.58) OPRM1ALDH1A1TDP1TP53
SCHEMBL117963 0.77 ALDH1A1 (0.38) ALDH1A1

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-10550136-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-04 US disclosed
US-20190315777-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHINETSU CHEMICAL CO (JP) 2019-10-17 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 (2 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-10550136-B2 Method for producing polyalkylene glycol derivative having amino group at end RAD1, AP3B1, RER1 OPRM1 670/4885ALDH1A1 282/4885TDP1 2792/4885
US-20190315777-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END KCNMA1, KCNMB1, KCNMB4 OPRM1 473/4885ALDH1A1 319/4885TDP1 3022/4885

“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.