SCHEMBL4723527

SCHEMBL4723527

CCC(C)N[C]1C=CC=CO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCAR3 P49019 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4765403 0.82 HCAR3 (0.30) HCAR3
SCHEMBL4720394 0.79 TDP1 (0.30) TDP1
SCHEMBL4724616 0.77
SCHEMBL4724369 0.71
SCHEMBL4722921 0.68
SCHEMBL4720932 0.68
SCHEMBL49805 0.60 ALDH1A1 (1.00) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL1133304 0.57 ALDH1A1 (0.58) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL29385988 0.57 TSHR (0.58) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL48533 0.57 TSHR (0.58) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1

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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 ALDH1A1 622/4885CYP3A4 152/4885L3MBTL1 3954/4885

“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.