SCHEMBL4723525

SCHEMBL4723525

CCCOc1ccc(C2OCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
LTA4H P09960 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 2/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL4723329 0.93 NPC1 (0.49) ALDH1A1MAPTMAOAMAOBCYP1A2
SCHEMBL10757930 0.88 NR5A1 (0.53) ALDH1A1MAOAMAOBCYP1A2LTA4H
SCHEMBL4719781 0.85 NQO1 (0.54) ALDH1A1MAPTMAOAMAOBLTA4H
SCHEMBL9778777 0.84 DRD2 (0.43) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9778655 0.84 KDM4E (0.44) MAPTMAOAMAOBKCNH2
SCHEMBL9778747 0.82 MAOB (0.50) ALDH1A1MAOAMAOBLTA4H
SCHEMBL4609655 0.82 KCNH2 (0.38) ALDH1A1MAPTMAOAMAOBNPC1
SCHEMBL4608650 0.82 TAAR1 (0.47) ALDH1A1LTA4HMEN1KMT2AKCNH2
SCHEMBL29103200 0.82 NR5A1 (0.46) ALDH1A1MAOAMAOBLTA4HNPC1
SCHEMBL28336791 0.82 NR5A1 (0.46) ALDH1A1MAOAMAOBLTA4HNPC1

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 622/4885MAPT 4361/4885MAOA 559/4885

“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.