SCHEMBL14818596

SCHEMBL14818596

CCCCOc1c[nH]c(CO)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CDK2 P24941 3/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
RB1 P06400 1/20 0.39
CA9 Q16790 1/20 0.36
DAO P14920 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GPR84 Q9NQS5 3/20 0.35
PGAM1 P18669 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 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
SCHEMBL9915324 0.84 CDK1 (0.38) CDK1CCNB1CDK2CDK4CCND1
SCHEMBL16748648 0.84 CDK1 (0.38) CDK1CCNB1CDK2CDK4CCND1
SCHEMBL16748830 0.81 CDK1 (0.37) CDK1CCNB1CDK2CDK4CCND1
SCHEMBL71549 0.78 CDK1 (0.41) CDK1CCNB1CDK2CDK4CCND1
SCHEMBL15279055 0.77 CDK1 (0.35) CDK1CCNB1CDK2CDK4CCND1
SCHEMBL11259490 0.76 PTGDR2 (0.42) MAPTL3MBTL1
SCHEMBL106114 0.75 NPC1 (0.43) DAONPC1ALDH1A1MAPTRAB9A
SCHEMBL71120 0.73 GSTP1 (0.44) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL15959300 0.72 PTGDR2 (0.33) CDK1CCNB1CDK2CDK4CCND1
SCHEMBL410523 0.71 MRGPRX4 (0.41) DAONPC1RAB9A

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-8883773-B2 Cephem compound having pseudo-catechol group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-03-28 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-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP CENPE, CCNE2, CEP170 CDK1 188/4885CCNB1 143/4885CDK2 248/4885

“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.