SCHEMBL1369990

SCHEMBL1369990

CC(C)(C)C(Oc1ccc(Cl)cc1Br)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 6/20 0.43
GAA P10253 2/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.40
PPARG P37231 2/20 0.40
NPC1 O15118 2/20 0.39

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
SCHEMBL1368738 0.84 TDP1 (0.44) PPARATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL1371347 0.82 PKM (0.50) PPARASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2104209 0.82 TSHR (0.46) PPARATSHRHTR2AHTR2CHTR2B
SCHEMBL6001992 0.82 AKR1C3 (0.42) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL21057184 0.81 PPARA (0.56) PPARATSHRHTR2AHTR2CHTR2B
SCHEMBL21057181 0.81 PPARA (0.56) PPARATSHRHTR2AHTR2CHTR2B
SCHEMBL21057148 0.80 TSHR (0.69) PPARATSHRHTR2AHTR2CHTR2B
SCHEMBL2111486 0.80 TSHR (0.69) PPARATSHRHTR2AHTR2CHTR2B
SCHEMBL1369029 0.80 ABCB11 (0.41) PPARAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1371128 0.80 PTPN1 (0.43) PPARACYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US 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 (2 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 PPARA 234/4885TSHR 3579/4885HTR2A 1350/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PPARA 45/4885TSHR 2760/4885HTR2A 207/4885

“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.