SCHEMBL3484562

SCHEMBL3484562

Cc1cc(CC(CO)CCc2ccc(C(=O)O)cc2)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.43
NR1H4 Q96RI1 2/20 0.41
ACE2 Q9BYF1 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FOLH1 Q04609 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MEN1 O00255 1/20 0.37
RARA P10276 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL3484567 0.95 NR1H4 (0.41) RARBNR1H4ACE2TSHRALDH1A1
SCHEMBL2489653 0.84 ANPEP (0.47) RARBTSHRALDH1A1FOLH1MEN1
SCHEMBL4668519 0.83 TSHR (0.39) RARBNR1H4ACE2TSHRALDH1A1
SCHEMBL3485094 0.81 NR1H4 (0.41) RARBNR1H4ADRB1ADRB3GRIN2D
SCHEMBL3484851 0.81 RARB (0.42) RARBNR1H4TSHRALDH1A1ADRB1
SCHEMBL2160396 0.80 ALDH1A1 (0.48) RARBTSHRALDH1A1FOLH1MEN1
SCHEMBL3485088 0.78 SLC7A5 (0.40) NR1H4ADRB1ADRB3RXRA
SCHEMBL3484856 0.75 NR1H4 (0.41) RARBNR1H4TSHRALDH1A1FOLH1
SCHEMBL17586550 0.74 GRIN2D (0.50) RARBNR1H4GRIN2DGRIN2AGRIN2B
SCHEMBL10159905 0.74 AKR1C2 (0.49) RARBNR1H4TSHRADRB3RXRA

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-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 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-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 RARB 1092/4885NR1H4 852/4885ACE2 817/4885

“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.