SCHEMBL594779

SCHEMBL594779

OC[C@H]1O[C@H](n2ccc3cc(-c4ccccc4)ccc32)C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.45
▸ ADRB1 P08588 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ SLC5A2 P31639 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TK1 P04183 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ TYMS P04818 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PNP P00491 1/20 0.39

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
SCHEMBL594778 1.00 ADK (0.45) ADKADRB1DNMT1SLC5A2LMNA
Phosphoric Acid SCHEMBL595617 0.94 TYMS (0.45) ADKADRB1DNMT1SLC5A2LMNA
SCHEMBL22334012 0.85 ADRB1 (0.47) ADKADRB1DNMT1LMNASMN1; SMN2
SCHEMBL22333925 0.85 ADRB1 (0.47) ADKADRB1DNMT1LMNASMN1; SMN2
SCHEMBL22333924 0.85 ADRB1 (0.47) ADKADRB1DNMT1LMNASMN1; SMN2
SCHEMBL23982125 0.85 ADRB1 (0.47) ADKADRB1DNMT1LMNASMN1; SMN2
SCHEMBL24687180 0.85 ADRB1 (0.47) ADKADRB1DNMT1LMNASMN1; SMN2
SCHEMBL11915452 0.83 ADRB1 (0.49) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL594249 0.83 LMNA (0.46) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL594248 0.83 LMNA (0.46) ADRB1DNMT1LMNASMN1; SMN2TK1

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-8981078-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-03-17 — — US disclosed
US-20130004945-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J (US) 2013-01-03 — — US disclosed
US-8114847-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2012-02-14 — — US disclosed
US-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY 2009-02-19 — — 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-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION REV1, PCNA, DNA2 ADK 550/4885ADRB1 4674/4885DNMT1 88/4885

“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.

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