SCHEMBL26036355

SCHEMBL26036355

Cc1[nH]c(C)c(C(=O)c2ccccc2Cc2ccccc2)c1C(=O)CO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2C19 P33261 2/20 0.71
MAPT P10636 2/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
NFKB1 P19838 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
HIF1A Q16665 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CAPN1 P07384 1/20 0.40
PTPN1 P18031 2/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 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
SCHEMBL7290710 0.88 TSHR (0.76) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL7298260 0.85 ALDH1A1 (0.73) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL7300305 0.85 TSHR (0.73) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL7300309 0.85 TSHR (0.73) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL22986510 0.85 TSHR (0.72) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL1938827 0.83 ALDH1A1 (1.00) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL29766970 0.83 ALDH1A1 (1.00) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL7298095 0.81 TSHR (0.78) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL22986511 0.79 TSHR (0.70) TSHRCYP3A4CYP2D6CYP2C19MAPT
SCHEMBL7297642 0.78 MAPT (0.73) TSHRCYP3A4CYP2D6CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730769-B2 Compositions and methods for Williams Syndrome (WS) therapy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-08-22 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-11730769-B2 Compositions and methods for Williams Syndrome (WS) therapy MAG, PMP22, WDR77 TSHR 4488/4885CYP3A4 4885/4885CYP2D6 4874/4885

“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.