SCHEMBL4720110

SCHEMBL4720110

CCCOc1ccccc1[C]1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PDE5A O76074 6/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 1/20 0.36

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
SCHEMBL4722834 0.95 CYP1A2 (0.40) CYP1A2CYP19A1CYP2C9CYP2C19HTR2C
SCHEMBL4720981 0.93 CYP1A2 (0.48) CYP1A2CYP19A1CYP2C9CYP2C19HTR2B
SCHEMBL4720559 0.88 CYP1A2 (0.49) CYP1A2CYP19A1CYP2C9CYP2C19PDE5A
SCHEMBL4722338 0.88 ALDH1A1 (0.43) HTR2BALDH1A1KDM4EHSD17B10ADRB2
SCHEMBL4720802 0.83 ALDH1A1 (0.42) HTR2CHTR2BALDH1A1KDM4EHSD17B10
SCHEMBL4720575 0.81 CYP1A2 (0.39) CYP1A2CYP19A1CYP2C9CYP2C19HTR2C
SCHEMBL4764160 0.80 APP (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10CNR2
SCHEMBL4723521 0.78 CYP1A2 (0.40) CYP1A2CYP19A1CYP2C9CYP2C19HTR2C
SCHEMBL4724735 0.77 PDE5A (0.40) CYP1A2CYP19A1CYP2C9CYP2C19HTR2C
SCHEMBL4763084 0.76 CNR1 (0.41) CYP2C9ALDH1A1KDM4EKMT2ASMN1; SMN2

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 CYP1A2 427/4885CYP19A1 1796/4885CYP2C9 303/4885

“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.