SCHEMBL594249

SCHEMBL594249

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ADRB1 P08588 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ ALOX12 P18054 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ TK1 P04183 2/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ PNP P00491 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TFPI2 P48307 1/20 0.40
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL594248 1.00 LMNA (0.46) LMNASMN1; SMN2ADRB1DNMT1ALOX12
Phosphoric Acid SCHEMBL595057 0.94 LMNA (0.45) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL11915452 0.85 ADRB1 (0.49) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL594778 0.83 ADK (0.45) LMNASMN1; SMN2ADRB1DNMT1TK1
SCHEMBL594779 0.83 ADK (0.45) LMNASMN1; SMN2ADRB1DNMT1TK1
SCHEMBL23982125 0.82 ADRB1 (0.47) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL22334012 0.82 ADRB1 (0.47) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL22333924 0.82 ADRB1 (0.47) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL22333925 0.82 ADRB1 (0.47) LMNASMN1; SMN2ADRB1DNMT1ALOX12
SCHEMBL24687180 0.82 ADRB1 (0.47) LMNASMN1; SMN2ADRB1DNMT1ALOX12

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 LMNA 1714/4885SMN1; SMN2 3631/4885ADRB1 4674/4885

“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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