SCHEMBL19780574

SCHEMBL19780574

CCCCCCCCCCCCCCCCCCCC(=O)OCC1CCCC(OCC2OC(n3cnc(N)nc3=O)CC2O)O1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.49
DNMT1 P26358 1/20 0.49
POLB P06746 2/20 0.37
NLRP3 Q96P20 1/20 0.36
ABCB1 P08183 4/20 0.34
EP300 Q09472 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL7915397 0.78 DNMT1 (0.58) ADRB1DNMT1POLBABCB1ABCG2
SCHEMBL2984540 0.77 POLB (0.56) ADRB1DNMT1POLBNLRP3
SCHEMBL5369313 0.77 POLB (0.56) ADRB1DNMT1POLBNLRP3
SCHEMBL19470016 0.76 DNMT1 (0.61) ADRB1DNMT1POLB
Decitabine SCHEMBL3394324 0.74 DNMT1 (0.75) ADRB1DNMT1
SCHEMBL10064053 0.74 DNMT1 (0.70) ADRB1DNMT1POLB
SCHEMBL16366026 0.73 DNMT1 (0.74) ADRB1DNMT1POLB
SCHEMBL10064225 0.73 DNMT1 (0.74) ADRB1DNMT1POLB
SCHEMBL14420389 0.73 ADRB1 (0.55) ADRB1DNMT1POLB
SCHEMBL5357283 0.72 POLB (0.60) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361777-A1 PHARMACEUTICAL PRODRUGS AND METHODS OF THEIR PREPARATION AND USE CEPHALON LLC 2021-11-25 US disclosed
US-11071789-B2 Pharmaceutical prodrugs and methods of their preparation and use CEPHALON, INC. (US) 2021-07-27 US disclosed
US-20190240348-A1 PHARMACEUTICAL PRODRUGS AND METHODS OF THEIR PREPARATION AND USE CEPHALON, INC. (US) 2019-08-08 US disclosed
WO-2018013783-A1 PHARMACEUTICAL PRODRUGS AND METHODS OF THEIR PREPARATION AND USE CEPHALON, INC. (US) 2018-01-18 WO 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-20190240348-A1 PHARMACEUTICAL PRODRUGS AND METHODS OF THEIR PREPARATION AND USE CYP2C19, UGT1A1, CYP2C9 ADRB1 1328/4885DNMT1 4035/4885POLB 1942/4885
US-20210361777-A1 PHARMACEUTICAL PRODRUGS AND METHODS OF THEIR PREPARATION AND USE CYP2C19, UGT1A1, CYP2C9 ADRB1 1273/4885DNMT1 3917/4885POLB 1891/4885
US-11071789-B2 Pharmaceutical prodrugs and methods of their preparation and use CYP2C19, UGT1A1, CYP2C9 ADRB1 1328/4885DNMT1 4035/4885POLB 1942/4885

“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.