SCHEMBL20280294

SCHEMBL20280294

Cc1cc(C(C)C)c(C(C)C)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.38
LMNA P02545 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
NOX4 Q9NPH5 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
KDM5A P29375 1/20 0.30
MAPT P10636 2/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL22016779 0.82 KDM4E (0.40) CRHR1LMNAADORA3NOX4KDM5B
SCHEMBL21921254 0.78 ATAD2 (0.36) LMNAADORA3NOX4KDM5BKDM4E
SCHEMBL23961767 0.78 GABRA1 (0.45) CRHR1ALDH1A1GAA
SCHEMBL17471276 0.78 ALDH1A1 (0.39) CRHR1LMNAADORA3ALDH1A1SMN1; SMN2
SCHEMBL22016469 0.76 PDE3B (0.45) CRHR1L3MBTL1KMT2APDE3BPDE3A
SCHEMBL14803746 0.74 ITGB1 (0.36) LMNAADORA3KDM5BKDM4EALDH1A1
SCHEMBL22016206 0.72 BRPF1 (0.34) LMNAADORA3KDM5BL3MBTL1KMT2A
SCHEMBL12009459 0.72 MAPT (0.34) CRHR1LMNAKDM4EKMT2AALDH1A1
SCHEMBL12180267 0.71 LMNA (0.34) CRHR1LMNAADORA3KDM4EL3MBTL1
SCHEMBL18999990 0.70 CRHR1 (0.33) CRHR1LMNA

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-10550071-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-02-04 US disclosed
US-20180170857-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-06-21 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-20180170857-A1 PPAR AGONISTS PPARG, PPARD, PPARA CRHR1 3470/4885LMNA 1003/4885ADORA3 1016/4885
US-10550071-B2 PPAR agonists PPARG, PPARD, PPARA CRHR1 3470/4885LMNA 1003/4885ADORA3 1016/4885

“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.