SCHEMBL3435787

SCHEMBL3435787

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
TSHR P16473 4/20 0.45
ABCB11 O95342 2/20 0.45
HTR2A P28223 2/20 0.45
PMP22 Q01453 2/20 0.45
CYP2C19 P33261 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
CYP2D6 P10635 2/20 0.43
PPARG P37231 5/20 0.41
CYP2C9 P11712 4/20 0.40
LMNA P02545 3/20 0.40
BLM P54132 2/20 0.40
USP2 O75604 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRB3 P13945 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6081148 0.84 MEN1 (0.49) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL29024474 0.84 PPARA (0.46) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL23903398 0.82 PPARA (0.66) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL5727051 0.82 PPARA (0.45) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL12426828 0.82 PPARA (0.45) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL18804484 0.81 PPARA (0.46) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL977500 0.81 CA1 (0.48) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL2131476 0.79 PPARA (0.67) PPARACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL4426376 0.79 PPARA (0.71) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL6780983 0.79 ALDH1A1 (0.44) PPARACYP1A2CYP3A4TSHRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 US disclosed
US-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 US disclosed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 WO 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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R PPARA 722/4885CYP1A2 4500/4885CYP3A4 4658/4885

“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.