SCHEMBL4582748

SCHEMBL4582748

COC(=O)c1ccc(-c2ccc(OCCO)cc2)cc1SC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ADRB3 P13945 5/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLA2G2A P14555 3/20 0.40
RAB9A P51151 1/20 0.39
RARB P10826 2/20 0.39
ALPL P05186 1/20 0.39
RARA P10276 1/20 0.39
ADRB1 P08588 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
DHODH Q02127 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
SCHEMBL4584671 0.90 ADRB3 (0.41) MAPTADRB3KDM4ECYP1A2CYP2D6
SCHEMBL4815035 0.82 MAPT (0.44) MAPTADRB3KDM4ECYP1A2CYP2D6
SCHEMBL4584689 0.80 ADRB3 (0.50) ADRB3CYP2D6ADRB1
SCHEMBL4812068 0.77 MAPT (0.44) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4583559 0.74 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL4815928 0.73 MAPT (0.77) MAPTKDM4ERAB9ARARB
SCHEMBL6001702 0.73 MAPT (0.51) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4585841 0.73 NR4A2 (0.46) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3319405 0.73 CA12 (0.60) MAPTRAB9A
SCHEMBL4583289 0.72 ADRB3 (0.41) ADRB3KDM4ECYP2C9CYP2C19ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 MAPT 4169/4885ADRB3 86/4885KDM4E 1697/4885

“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.