SCHEMBL5151271

SCHEMBL5151271

Cc1ccc(-c2ccc(CC(=O)O)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ABCC4 O15439 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
PTGS1 P23219 1/20 0.56
HTT P42858 1/20 0.56
DGAT1 O75907 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
RXRA P19793 3/20 0.49
RXRB P28702 3/20 0.49
RXRG P48443 3/20 0.49
ENPP2 Q13822 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46

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
SCHEMBL575044 0.85 GABRP (0.61) TSHRABCC4LMNAGAAPTGS1
Hydrochloric Acid SCHEMBL7020108 0.84 GABRP (0.59) TSHRABCC4LMNAGAAPTGS1
SCHEMBL4037637 0.80 TBXAS1 (0.50) TSHRSMN1; SMN2RXRARXRBRXRG
SCHEMBL16726559 0.79 P4HTM (0.74) TSHRABCC4LMNAGAAPTGS1
SCHEMBL18427891 0.79 LMNA (0.86) TSHRABCC4LMNAGAAPTGS1
SCHEMBL68027 0.79 LMNA (0.86) TSHRABCC4LMNAGAAPTGS1
SCHEMBL30461983 0.78 MKNK1 (0.56) TSHRSMN1; SMN2IDO1WNT3A
SCHEMBL10093227 0.78 MKNK1 (0.56) TSHRSMN1; SMN2IDO1WNT3A
SCHEMBL10228775 0.77 ABCC4 (0.69) TSHRABCC4LMNAGAAPTGS1
SCHEMBL12302553 0.77 WNT3A (0.65) TSHRABCC4LMNAGAAPTGS1

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-7211578-B2 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with TNF activity SANOFI-AVENTIS (FR) 2007-05-01 US disclosed
US-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity SANOFI-AVENTIS (FR) 2005-01-06 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-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity TNF, TNFRSF1A, NFKBIA TSHR 3046/4885ABCC4 2792/4885LMNA 3216/4885

“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.