SCHEMBL4722955

SCHEMBL4722955

COc1cccc2c1C(c1ccccc1)[C]O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ADRA1A P35348 1/20 0.34
NR3C2 P08235 3/20 0.34
AR P10275 2/20 0.34
PGR P06401 2/20 0.34
ESR1 P03372 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
SCHEMBL4720536 0.82 HTR2C (0.37) ADRA1A
SCHEMBL4723823 0.81 CYP1A2 (0.42) KDM4ESLC6A3
SCHEMBL4720531 0.79 FABP7 (0.40) NR3C1KDM4EALDH1A1HPGDSLC6A4
SCHEMBL5708281 0.72 CA1 (0.40) NR3C1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4721975 0.71 NR3C1 (0.36) NR3C1KDM4EALDH1A1HPGDNR3C2
SCHEMBL11502045 0.69 LMNA (0.37) NR3C1KDM4EALDH1A1HSD17B10AR
SCHEMBL4720547 0.68 CYP1A2 (0.40) KDM4E
SCHEMBL4723599 0.65 FABP7 (0.39) NR3C1KDM4EALDH1A1HPGDADRA1A
SCHEMBL21972241 0.64 LMNA (0.41) NR3C1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL25190299 0.61 KDM4E (0.47) NR3C1KDM4EALDH1A1HPGDHSD17B10

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 NR3C1 3791/4885KDM4E 2584/4885ALDH1A1 622/4885

“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.