SCHEMBL6714332

SCHEMBL6714332

CC(C)(C)C(=O)OCn1ncnn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
NPC1 O15118 4/20 0.35
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCA P17252 1/20 0.32
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
RAB9A P51151 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL21990274 0.69 FOLH1 (0.36) POLBNPC1GAANPSR1CYP2C19
SCHEMBL309354 0.69 POLB (0.34) POLBNPC1GAANPSR1CYP2C19
SCHEMBL18377936 0.63 NPC1 (0.42) POLBNPC1GAANPSR1CYP2C19
SCHEMBL9914133 0.63 ALDH1A1 (0.58) POLBNPC1GAANPSR1CYP2C19
SCHEMBL27991843 0.63
SCHEMBL9871939 0.62 PRKCA (0.41) POLBGAANPSR1PRKCA
SCHEMBL1812874 0.62 NPC1 (0.32) POLBNPC1GAANPSR1CYP2C19
SCHEMBL10643045 0.62 TBXAS1 (0.48)
SCHEMBL28121188 0.61
SCHEMBL28019636 0.61 PRKCA (0.43) POLBNPC1GAANPSR1PRKCA

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 POLB 626/4885NPC1 3891/4885GAA 111/4885

“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.