SCHEMBL15828118

SCHEMBL15828118

CC(=O)C(=O)C(CC(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ KCNQ2 O43526 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CTSL P07711 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39

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
SCHEMBL9577303 0.87 CTSS (0.48) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL2120942 0.85 CTSS (0.49) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL1716112 0.82 CYP2C19 (0.53) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL3036448 0.79 EPHX1 (0.59) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL27774147 0.79 LMNA (0.50) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL1801672 0.78 LMNA (0.56) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL11508430 0.76 KMT2A (0.56) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL27995630 0.75 MMP8 (0.51) CTSSCTSKLMNACYP2C19MMP8
Ethane SCHEMBL27961526 0.75 CTSK (0.55) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL7160698 0.73 CTSK (0.64) CTSSCTSKCTSLCYP2C19MME

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-9115083-B2 Compounds from Antrodia cinnamomea and use thereof SIMPSON BIOTECH CO., LTD. (TW) 2015-08-25 — — US disclosed
US-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2014-06-26 — — 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-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF HAVCR2, CYP51A1, NPC1 CTSS 1204/4885CTSK 1355/4885KCNQ2 4296/4885

“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.

Send feedback