SCHEMBL18074854

SCHEMBL18074854

CC1(OCC(=O)O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CTH P32929 1/20 0.33
▸ CBS P35520 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ FFAR3 O14843 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ CYP2C19 P33261 2/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL31213026 0.95 CYP1A2 (0.38) TSHRCYP1A2CTHCBSTHPO
SCHEMBL31213025 0.93 CYP1A2 (0.41) TSHRCYP1A2CTHCBSTHPO
SCHEMBL11913649 0.83 PTGDR (0.31) PTGDRPTGDR2
SCHEMBL11913664 0.83 PTGDR (0.31) PTGDRPTGDR2
SCHEMBL21570221 0.81 HSD17B10 (0.31) TSHRCTHCBSTHPOFFAR3
SCHEMBL8737871 0.76 CYP19A1 (0.37) TSHRCYP1A2USP2ALDH1A1LMNA
SCHEMBL11751611 0.75 SLC1A3 (0.31) CYP1A2
SCHEMBL20721979 0.74 TSHR (0.35) TSHRCYP1A2CTHCBSTHPO
SCHEMBL28154094 0.72 CYP19A1 (0.32) CYP19A1
SCHEMBL1734944 0.71 PTGDR (0.33) TSHRCTHCBSTHPOFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119213-A1 OXO-PYRIDINE-DERIVATIVES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-04-25 — — US disclosed
EP-3271332-A1 OXO-PYRIDINE-DERIVATIVES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOSIS Bayer Pharma Aktiengesellschaft (DE) 2018-01-24 — — EP disclosed
WO-2016146606-A1 OXO-PYRIDINE-DERIVATIVES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 — — 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 (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-20190119213-A1 OXO-PYRIDINE-DERIVATIVES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOSIS F11, TFPI, F10 TSHR 2083/4885CYP1A2 619/4885CTH 3793/4885

“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.

Send feedback