SCHEMBL803409

SCHEMBL803409

CC1CCc2cc(C(=O)C(C)(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PDE4D Q08499 1/20 0.36
SRD5A2 P31213 2/20 0.35
SRD5A1 P18405 1/20 0.35
ALDH1A1 P00352 1/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC6 Q9UBN7 4/20 0.33
HDAC8 Q9BY41 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HSD11B1 P28845 1/20 0.32
PPARD Q03181 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL803351 1.00 ALOX5 (0.36) ALOX5PDE4DSRD5A2SRD5A1ALDH1A1
SCHEMBL802978 1.00 ALOX5 (0.36) ALOX5PDE4DSRD5A2SRD5A1ALDH1A1
SCHEMBL802967 0.91 ALDH1A1 (0.39) ALOX5PDE4DSRD5A2SRD5A1ALDH1A1
SCHEMBL802973 0.90 ALDH1A1 (0.38) ALOX5PDE4DALDH1A1HDAC6CA1
SCHEMBL802976 0.88 DRD3 (0.37) ALOX5PDE4DALDH1A1HDAC6HTR2A
SCHEMBL802974 0.88 DRD3 (0.37) ALOX5PDE4DALDH1A1HDAC6HTR2A
SCHEMBL803348 0.88 DRD3 (0.37) ALOX5PDE4DALDH1A1HDAC6HTR2A
SCHEMBL10164087 0.81 AKR1C3 (0.48) ALDH1A1AKR1C3HSD11B1MAPT
SCHEMBL8256333 0.81 AKR1C3 (0.48) ALDH1A1AKR1C3HSD11B1MAPT
SCHEMBL802970 0.79 ALDH1A1 (0.39) ALOX5PDE4DALDH1A1HDAC6MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ALOX5 2000/4885PDE4D 1071/4885SRD5A2 880/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALOX5 2000/4885PDE4D 1071/4885SRD5A2 880/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALOX5 2016/4885PDE4D 605/4885SRD5A2 3255/4885

“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.