SCHEMBL4930035

SCHEMBL4930035

COC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc3c(c1)OCCO3)n2-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
USP2 O75604 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 7/20 0.47
CTSZ Q9UBR2 4/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 6/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL4930768 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL4929484 0.79 PTGDR2 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL4928495 0.77 PTGDR2 (0.50) ALDH1A1SMN1; SMN2MAPTNPSR1LMNA
SCHEMBL4925811 0.77 METAP2 (0.45) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL4932239 0.76 IDH1 (0.42) ALDH1A1SMN1; SMN2MAPTNPSR1LMNA
SCHEMBL668237 0.68 KDM4E (0.62) ALDH1A1SMN1; SMN2MAPTRXFP1LMNA
SCHEMBL6211145 0.66 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2MAPTNPSR1RXFP1
SCHEMBL29882235 0.64 KDM4E (0.69) ALDH1A1SMN1; SMN2MAPTNPSR1LMNA
SCHEMBL27303713 0.64 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL22639759 0.64 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 ALDH1A1 1870/4885SMN1; SMN2 4521/4885CYP1A2 1472/4885

“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.