SCHEMBL3501359

SCHEMBL3501359

CCOC(=O)CCc1ccc(OCc2cccc3c2N(C(=O)c2ccccc2)CCC3)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
FFAR1 O14842 4/20 0.40
FFAR4 Q5NUL3 1/20 0.39
AVPR2 P30518 1/20 0.39
HPD P32754 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
HDAC1 Q13547 2/20 0.38

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
SCHEMBL13312059 0.90 RXRA (0.48) TSHRALDH1A1POLBMAPTHPGD
SCHEMBL13312712 0.87 FFAR1 (0.40) ALDH1A1FFAR1FFAR4HDAC6PDCD1
SCHEMBL13312589 0.86 FFAR1 (0.38) ALDH1A1FFAR1FFAR4AVPR2PDCD1
SCHEMBL13312700 0.85 RXRA (0.53) TSHRALDH1A1POLBMAPTHPGD
SCHEMBL13312655 0.85 PTGER4 (0.46) POLBPTGER4PTGER2FFAR1FFAR4
SCHEMBL13348138 0.85 HPD (0.41) TSHRALDH1A1POLBMAPTHPGD
SCHEMBL3503290 0.85 PTGER2 (0.43) TSHRALDH1A1MAPTPTGER4PTGER2
SCHEMBL13312462 0.84 FFAR1 (0.46) PTGER4PTGER2FFAR1FFAR4HPD
SCHEMBL13312656 0.84 FFAR1 (0.44) ALDH1A1PTGER4PTGER2FFAR1FFAR4
SCHEMBL13312714 0.83 FFAR1 (0.41) ALDH1A1FFAR1FFAR4HDAC6PDCD1

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 TSHR 962/4885ALDH1A1 1850/4885POLB 4517/4885

“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.