SCHEMBL5054534

SCHEMBL5054534

Cc1cc(C)cc(C(=O)N(NC(C)(C)C)C(=O)c2ccc3c(c2C)OC(COC(=O)Nc2ccccc2)CO3)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGIR P43119 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
SCHEMBL13003231 0.86 ABCB1 (0.48) F2RL3CYP3A4
SCHEMBL3770810 0.86 ABCB1 (0.48) F2RL3CYP3A4
SCHEMBL16239577 0.84 ABCB1 (0.33) RAB9ACYP3A4
SCHEMBL16239937 0.82 ABCB1 (0.32) RAB9ACYP3A4
SCHEMBL16239512 0.82 STAT3 (0.33) SMN1; SMN2TSHRRAB9AALDH1A1MAPT
SCHEMBL14937148 0.79 NPC1 (0.32) RAB9ANPC1CYP3A4L3MBTL1
SCHEMBL14764988 0.79 ABCB1 (0.34) SMN1; SMN2TSHRRAB9ANPC1ALDH1A1
SCHEMBL6123388 0.76 NPC1 (0.35) SMN1; SMN2TSHRRAB9ANPC1MAPT
SCHEMBL5705240 0.75 NPC1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL16254689 0.71 ABCB1 (0.52) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand HORMANN ROBERT E 2008-05-01 US claimed

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-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand NR5A1, NR0B2, NR0B1 F2RL3 1067/4885SMN1; SMN2 4661/4885TSHR 744/4885

“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.