SCHEMBL4339658

SCHEMBL4339658

COc1cccc(C#CCn2cc(CC(OC(C)C)C(=O)O)c3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
PTGES O14684 2/20 0.40
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4336953 0.90 ADAM17 (0.46) ADAM17MMP2MMP13MMP14MAPT
SCHEMBL4332251 0.87 ADAM17 (0.47) ADAM17PTGESMAPTALDH1A1RECQL
SCHEMBL4333067 0.83 ADAM17 (0.45) ADAM17MMP2MMP13MMP14MAPT
SCHEMBL13819822 0.82 MAPT (0.51) ADAM17MMP2MMP13MMP14MAPT
SCHEMBL4336056 0.81 ADAM17 (0.46) ADAM17MMP2MMP13MMP14PTGES
SCHEMBL4335269 0.79 MCL1 (0.41) ADAM17MMP2MMP13MMP14MAPT
SCHEMBL13819394 0.77 CHRM1 (0.56) ADAM17MMP2MMP13MMP14POLB
SCHEMBL4333236 0.73 MEN1 (0.52) MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL13819345 0.71 KMT2A (0.53) ADAM17MAPTALDH1A1
SCHEMBL4339678 0.70 PPARA (0.46) MMP2MMP13PTGES

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ADAM17 4781/4885MMP2 2991/4885MMP13 3566/4885

“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.