SCHEMBL4216332

SCHEMBL4216332

COc1ccc(-c2ccccc2CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.62
MMP12 P39900 4/20 0.62
MMP9 P14780 3/20 0.62
MMP8 P22894 3/20 0.60
MMP13 P45452 3/20 0.60
MMP14 P50281 3/20 0.60
MMP16 P51512 3/20 0.60
MMP1 P03956 1/20 0.60
MMP3 P08254 1/20 0.60
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
PTGDR2 Q9Y5Y4 3/20 0.55
LPAR1 Q92633 1/20 0.54
HSD17B10 Q99714 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
BACE1 P56817 2/20 0.51
GFER P55789 1/20 0.49
ABL1 P00519 1/20 0.49

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
SCHEMBL4941492 0.86 MMP2 (0.58) MMP2MMP12MMP9MMP8MMP13
SCHEMBL7596724 0.86 FFAR1 (0.52) MMP2MMP12MMP9MMP8MMP13
SCHEMBL10713781 0.85 MMP2 (0.56) MMP2MMP12MMP9MMP8MMP13
SCHEMBL3738351 0.84 HSD17B10 (0.64) MMP2MMP12MMP9MMP8MMP13
SCHEMBL5961842 0.83 PTGS1 (0.59) MMP2MMP12MMP9MMP8MMP13
Ethane SCHEMBL28588588 0.83 PTGS1 (0.57) MMP2MMP12MMP9MMP8MMP13
SCHEMBL9890648 0.83 HSD17B10 (0.62) MMP2MMP12MMP9MMP8MMP13
SCHEMBL538512 0.82 KMT2A (0.60) MMP2MMP12MMP9MMP8MMP13
SCHEMBL3738754 0.81 FFAR1 (0.53) MMP2MMP12MMP9MMP8MMP13
SCHEMBL7176319 0.81 EGFR (0.55) LPAR1SMN1; SMN2ALDH1A1HPGD

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 WO 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 MMP2 3634/4885MMP12 3650/4885MMP9 1300/4885

“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.