SCHEMBL556505

SCHEMBL556505

CN(CCc1ccccc1C#C[Si](C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR1 O14842 5/20 0.36
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CDK2 P24941 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL557041 0.82 FFAR1 (0.37) KDM4EALDH1A1KMT2AHPGDFFAR1
SCHEMBL31064494 0.80 FFAR1 (0.52) FFAR1
SCHEMBL534744 0.73 MTNR1A (0.51) KMT2AMEN1CYP1A2TSHRCYP2C19
SCHEMBL16333188 0.72 HTR1A (0.54) KMT2ACDK4CCND1CDK2NPC1
SCHEMBL20945362 0.72 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL29791106 0.72 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL15524054 0.72 KDM4E (0.38) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL18422574 0.71 TAAR1 (0.62) ALDH1A1KMT2AMEN1CDK4CCND1
SCHEMBL555604 0.71 TAAR1 (0.62) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL27759121 0.71 SIGMAR1 (0.47) KDM4EALDH1A1KMT2AHPGDCDK4

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 2653/4885ALDH1A1 900/4885KMT2A 3390/4885

“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.