SCHEMBL5104577

SCHEMBL5104577

CCCOc1ccccc1C1=[C]OC=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 2/20 0.37
HTR2C P28335 1/20 0.37
PDE5A O76074 10/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
HTR1A P08908 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADRB2 P07550 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PDE2A O00408 1/20 0.34
PDE6D O43924 1/20 0.34
USP2 O75604 1/20 0.34
PDE9A O76083 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
SCHEMBL4724644 0.93 CYP1A2 (0.46) CYP1A2CYP19A1CYP2C9CYP2C19PDE5A
SCHEMBL4724634 0.90 ALDH1A1 (0.40) HTR2BHTR2CPDE5AKDM4EALDH1A1
SCHEMBL10438816 0.73 HTR7 (0.53) CYP1A2CYP19A1CYP2C9CYP2C19HTR2B
SCHEMBL4919270 0.71 LTA4H (0.31)
SCHEMBL4722144 0.68 CYP1A2 (0.39) CYP1A2CYP19A1CYP2C9CYP2C19HTR2B
1,2-Dipropoxybenzene SCHEMBL29428926 0.67 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTR2BHTR2C
1,2-Dipropoxybenzene SCHEMBL578657 0.67 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTR2BHTR2C
SCHEMBL4722141 0.67 CYP1A2 (0.40) CYP1A2CYP19A1CYP2C9CYP2C19HTR2B
SCHEMBL1389258 0.67 ADRB2 (0.67) ADRB2KDM4EALDH1A1LMNAKMT2A
1-Ethoxy-2-Propoxybenzene SCHEMBL2919156 0.66 L3MBTL1 (0.64) CYP1A2CYP2C9CYP2C19HTR1AKDM4E

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 1 patent. 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

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.