SCHEMBL1369029

SCHEMBL1369029

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
FFAR1 O14842 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP3A4 P08684 2/20 0.37
ESRRA P11474 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL1371347 0.83 PKM (0.50) ALDH1A1KDM4EHPGDFFAR1L3MBTL1
SCHEMBL2101990 0.83 PTGDR2 (0.54) ABCB11CYP2C19ALDH1A1KDM4EUSP2
SCHEMBL1368738 0.81 TDP1 (0.44) CYP2C19ALDH1A1KDM4EUSP2HPGD
SCHEMBL6001992 0.80 AKR1C3 (0.42) CYP2C19ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1369990 0.80 PPARA (0.54) CYP2C19ALDH1A1KDM4EPTGDR2CYP1A2
SCHEMBL1371128 0.78 PTPN1 (0.43) CYP2C19HPGDCYP1A2CYP2C9CYP2D6
SCHEMBL1371122 0.77 FFAR1 (0.42) ALDH1A1FFAR1HDAC3HDAC1HDAC2
SCHEMBL1368634 0.77 FFAR1 (0.45) CYP2C19PTGDR2FFAR1ESRRACYP1A2
SCHEMBL6002057 0.76 TBXA2R (0.40) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL8160406 0.76 L3MBTL1 (0.42) CYP1A1CYP1B1CYP3A4ESRRAL3MBTL1

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-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 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 (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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 ABCB11 2859/4885CYP2C19 2030/4885ALDH1A1 54/4885

“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.