SCHEMBL4722141

SCHEMBL4722141

CCCOc1ccccc1[C]1C=CC=CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP19A1 P11511 1/20 0.40
PDE5A O76074 11/20 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
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL4721668 0.93 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP19A1PDE5A
SCHEMBL4724399 0.88 ALDH1A1 (0.41) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL10438816 0.76 HTR7 (0.53) CYP1A2CYP2C9CYP2C19CYP19A1PDE5A
1,2-Dipropoxybenzene SCHEMBL29428926 0.70 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
1,2-Dipropoxybenzene SCHEMBL578657 0.70 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1389258 0.70 ADRB2 (0.67) KDM4EALDH1A1KMT2ASMN1; SMN2ADRB2
Water SCHEMBL27583143 0.68 ADRB2 (0.65) KDM4EALDH1A1KMT2ASMN1; SMN2ADRB2
SCHEMBL28131881 0.68 PDE5A (0.52) CYP1A2CYP2C9CYP2C19CYP19A1PDE5A
1,2-Dipropoxybenzene SCHEMBL8910053 0.68 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL4722144 0.68 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19CYP19A1PDE5A

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 427/4885CYP2C9 303/4885CYP2C19 195/4885

“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.