SCHEMBL12316626

SCHEMBL12316626

CC(C)Oc1cc2c(cc1Cl)C(O)CCO2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.49
PTGDR2 Q9Y5Y4 11/20 0.42
CHEK1 O14757 1/20 0.38
CSNK2A1 P68400 2/20 0.36
PPOX P50336 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL12316643 0.78 MAP3K14 (0.49) MAP3K14PTGDR2CSNK2A1PPOXHPGD
SCHEMBL12316538 0.73 MAP3K14 (0.57) MAP3K14CHEK1KDM4EALDH1A1
SCHEMBL12316627 0.73 MAP3K14 (0.57) MAP3K14PTGDR2
SCHEMBL12316618 0.72 MAP3K14 (0.40) MAP3K14KMT2A
SCHEMBL12316620 0.70 ALDH1A1 (0.43) CHEK1CSNK2A1PPOXKDM4EMEN1
SCHEMBL12316642 0.70 KDM4E (0.42) CHEK1CSNK2A1PPOXKDM4EMEN1
SCHEMBL13092731 0.69 MAP3K14 (0.54) MAP3K14
SCHEMBL30954162 0.68 TDP1 (0.40) CSNK2A1PPOXMEN1KMT2APOLB
SCHEMBL27433297 0.68 TDP1 (0.40) CSNK2A1PPOXMEN1KMT2APOLB
SCHEMBL4521150 0.67 MAP3K14 (0.46) MAP3K14PTGDR2

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-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 MAP3K14 3794/4885PTGDR2 1721/4885CHEK1 4365/4885

“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.