SCHEMBL1985462

SCHEMBL1985462

CC(C)(C)OC(=O)C(=O)OCc1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TACR1 P25103 1/20 0.35
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
CACNA1B Q00975 1/20 0.33
AKT1 P31749 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL11095541 0.81 MAPT (0.47) IDO1ALDH1A1POLB
SCHEMBL29346548 0.78 IDO1 (0.50) IDO1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14279975 0.78 IDO1 (0.46) IDO1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1680118 0.77 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1SYK
SCHEMBL12611778 0.77 MAOB (0.53) CYP2C19ALDH1A1POLBL3MBTL1
SCHEMBL3294783 0.76 ALDH1A1 (0.55) IDO1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1549924 0.76 IDO1 (0.45) IDO1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23241571 0.76 MTNR1A (0.51) IDO1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5439590 0.76 IDO1 (0.47) IDO1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27708869 0.73 IDO1 (0.41) IDO1CYP1A2CYP2D6CYP2C9CYP2C19

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-20110152175-A1 DENDRIMERIC COMPOUNDS COMPRISING AMINO ACIDS, HYPERBRANCHED CORE COMPOUND, PROCESS FOR PREPARATION OF DENDRIMERIC COMPOUNDS COMPRISING AMINO ACIDS AND HYPERBRANCHED CORE COMPOUND, AND USE THEREOF INSTYTUT CHEMII ORGANICZNEJ POLSKA AKADEMIA NAUK (PL) 2011-06-23 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-20110152175-A1 DENDRIMERIC COMPOUNDS COMPRISING AMINO ACIDS, HYPERBRANCHED CORE COMPOUND, PROCESS FOR PREPARATION OF DENDRIMERIC COMPOUNDS COMPRISING AMINO ACIDS AND HYPERBRANCHED CORE COMPOUND, AND USE THEREOF MYC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADM2 IDO1 1021/4885CYP1A2 2855/4885CYP2D6 3379/4885

“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.