Sugi Predict

Sugi Predict / Compounds / SCHEMBL4025893

SCHEMBL4025893

SCHEMBL4025893

CCOC(CCO)c1ccc(OCCn2c(C)ccc2-c2cc3ccccc3o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 2/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ MKNK1 Q9BUB5 10/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ BCHE P06276 4/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL4025605 0.91 DRD3 (0.35) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4031259 0.88 MKNK1 (0.38) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4029569 0.88 MKNK1 (0.36) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4025892 0.82 DRD3 (0.44) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4025890 0.82 DRD3 (0.41) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL6076338 0.79 PGR (0.53) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL1338143 0.79 PGR (0.61) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4025601 0.79 DRD3 (0.42) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4031253 0.78 DRD3 (0.39) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4029566 0.77 DRD3 (0.38) DRD3PGRADORA3CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 — — EP claimed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 — — US claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 — — US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 — — EP disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 — — US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 — — EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 — — 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 (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-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 DRD3 1485/4885PGR 3869/4885ADORA3 152/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 DRD3 1485/4885PGR 3869/4885ADORA3 152/4885

“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.