SCHEMBL5100950

SCHEMBL5100950

COc1ccc2c(c1)cc(CO)n2Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.56
CCR2 P41597 3/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SERPINE1 P05121 1/20 0.40

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
SCHEMBL5093653 0.84 CCR9 (0.55) CCR9CCR2TP53SMN1; SMN2PTGS2
SCHEMBL5093926 0.78 CCR9 (0.64) CCR9CCR2TP53PTGS2POLB
SCHEMBL4056506 0.77 ALDH1A1 (0.45) CCR2SMN1; SMN2PTGS2POLBMTNR1A
SCHEMBL4094081 0.76 ALDH1A1 (0.47) CCR2SMN1; SMN2POLBMTNR1AMTNR1B
SCHEMBL9403254 0.73 CCR2 (0.53) CCR9CCR2PTGS2CYP1A2CYP3A4
SCHEMBL2156810 0.73 GRIK1 (0.56) CCR2TP53SMN1; SMN2POLBMTNR1A
SCHEMBL10444001 0.73 ALDH1A1 (0.55) CCR2TP53SMN1; SMN2POLBMTNR1A
SCHEMBL13802402 0.72 MAPT (0.47) CCR9CCR2PTGS2
SCHEMBL5100968 0.71 SRD5A2 (0.47) CCR9TP53SMN1; SMN2
SCHEMBL7971117 0.71 MAOA (0.58) SMN1; SMN2MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459478-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-12-02 US disclosed
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-11-30 US disclosed
US-7101903-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitiors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-09-05 US disclosed
US-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis WYETH (US) 2005-05-26 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 (2 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-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis FGB, SERPINE1, MMP1 CCR9 694/4885CCR2 734/4885TP53 4395/4885
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F2 CCR9 1859/4885CCR2 751/4885TP53 3274/4885

“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.