SCHEMBL4924820

SCHEMBL4924820

COC(=O)[C]1C=CC=CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
XDH P47989 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL3374433 0.73
SCHEMBL27873677 0.69 ALDH1A1 (0.34) ALDH1A1TSHRCA1CA2CA12
SCHEMBL28008028 0.67 NPSR1 (0.34) ALDH1A1TSHRCA1CA2CA12
SCHEMBL28008422 0.67 NPSR1 (0.34) ALDH1A1TSHRCA1CA2CA12
SCHEMBL27209677 0.64 TSHR (0.39) ALDH1A1TSHRCA1CA2CA12
SCHEMBL5902597 0.62
SCHEMBL6414618 0.61 TSHR (0.37) ALDH1A1TSHRCA1CA2CA12
SCHEMBL31295488 0.60 TSHR (0.40) ALDH1A1TSHRCA1CA2CA12
SCHEMBL28833821 0.60 KDM4E (0.31) KDM4EKMT2A
SCHEMBL9388982 0.60 CA1 (0.38) ALDH1A1TSHRCA1CA2CA12

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 ALDH1A1 849/4885TSHR 337/4885CA1 4557/4885

“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.