Sugi Predict

Sugi Predict / Compounds / SCHEMBL5605831

SCHEMBL5605831

SCHEMBL5605831

Cc1cc(C)c(C(C)(C)CCO)c(OC(=O)CCCBr)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ TSHR P16473 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TTR P02766 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32

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
SCHEMBL28532991 0.94 CNR1 (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL18613383 0.91 MAPT (0.37) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL28532992 0.90 FABP4 (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL24822045 0.88 TOP2A (0.40) SMN1; SMN2KMT2ACNR1CNR2MAPT
SCHEMBL18613385 0.86 TSHR (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL5605987 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL19608783 0.84 ACHE (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL5605689 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL22125604 0.84 ALOX5 (0.37) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL5605635 0.83 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CYP1A2CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166594-B2 Antibacterial activity AVENTIS PHARMA S.A. (FR) 2007-01-23 — — US disclosed
EP-1187847-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-03 — — EP disclosed
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2003-08-07 — — US disclosed
US-6569854-B1 Virginamycins AVENTIS PHARMA S.A. (FR) 2003-05-27 — — US disclosed
EP-1187847-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-20 — — EP disclosed
WO-2001002427-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 — — 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-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, ABHD5, APEH ALDH1A1 4296/4885SMN1; SMN2 4757/4885CYP1A2 1181/4885

“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.