SCHEMBL21093397

SCHEMBL21093397

CCC(=O)C1CC(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ TACR3 P29371 1/20 0.41

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
SCHEMBL25239236 0.83 CYP2C9 (0.44) OPRM1GRIN2BCYP2C9CYP2C19HTR2B
SCHEMBL21093634 0.82 GRIN2B (0.44) ALDH1A1L3MBTL1GRIN2BRIPK1CYP2C9
SCHEMBL7810455 0.82 GRIN2B (0.46) L3MBTL1GRIN2BCYP2C9CYP2C19HTR2B
SCHEMBL3541508 0.79 L3MBTL1 (0.53) ALDH1A1L3MBTL1CYP2C9CYP2C19
SCHEMBL21494357 0.78 ALDH1A1 (0.49) ALDH1A1GRIN2BRIPK1CYP2C9CYP2C19
SCHEMBL26144433 0.78 CYP2C9 (0.43) ALDH1A1L3MBTL1CYP2C9CYP2C19HTR2B
SCHEMBL26144434 0.77 AKR1C3 (0.51) ALDH1A1L3MBTL1CYP2C9CYP2C19HTR2B
SCHEMBL4313351 0.76 EPHX2 (0.44) ALDH1A1L3MBTL1OPRM1
SCHEMBL23467257 0.74 ALDH1A1 (0.44) ALDH1A1L3MBTL1GRIN2BCYP2C9CYP2C19
SCHEMBL19612576 0.74 CYP2C9 (0.52) CYP2C9CYP2C19HTR2BMAPK14

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-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 — — US disclosed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 — — 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 (2 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-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 ALDH1A1 4023/4885L3MBTL1 4095/4885OPRM1 4855/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 ALDH1A1 4023/4885L3MBTL1 4095/4885OPRM1 4855/4885

“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