SCHEMBL5571508

SCHEMBL5571508

COC(=O)[C@@H]1CCC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTA4H P09960 1/20 0.34
BACE1 P56817 1/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
ADORA1 P30542 1/20 0.34
SLC6A3 Q01959 2/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL5571506 1.00 HSD11B1 (0.37) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5571511 1.00 HSD11B1 (0.37) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL26964685 0.93 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL26964739 0.90 ALDH1A1 (0.39) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5575853 0.89 BTK (0.38) HSD11B1SMN1; SMN2BACE1KMT2AHTT
SCHEMBL5575859 0.89 BTK (0.38) HSD11B1SMN1; SMN2BACE1KMT2AHTT
SCHEMBL3939390 0.89 BTK (0.38) HSD11B1SMN1; SMN2BACE1KMT2AHTT
SCHEMBL20495445 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL20064242 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5830982 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-7173151-B2 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTISDEUTSCHAND GMBH (DE) 2007-02-06 US disclosed
US-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FASN HSD11B1 210/4885ALDH1A1 275/4885SMN1; SMN2 2679/4885
US-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES CES1, COASY, CYP51A1 HSD11B1 36/4885ALDH1A1 304/4885SMN1; SMN2 3719/4885

“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.