SCHEMBL5179999

SCHEMBL5179999

CCN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ncc(C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.53
RXRB P28702 10/20 0.53
RXRG P48443 9/20 0.53
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC8 Q9BY41 1/20 0.37
PPARG P37231 1/20 0.35
XDH P47989 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5179352 0.89 RXRA (0.43) RXRARXRBRXRGALOX15HSD17B10
SCHEMBL22235630 0.85 RXRA (0.40) RXRARXRBRXRGKDM4EHDAC8
SCHEMBL22235371 0.85 ALOX15 (0.42) RXRARXRBRXRGALOX15HSD17B10
SCHEMBL5180005 0.84 RXRA (0.39) RXRARXRBRXRGHDAC8MAPT
SCHEMBL5179522 0.83 RXRA (0.58) RXRARXRBRXRGALOX15HSD17B10
SCHEMBL22235297 0.83 RXRA (0.57) RXRARXRBRXRGPPARG
SCHEMBL5179646 0.82 KDM4E (0.54) RXRARXRBRXRGALOX15HSD17B10
SCHEMBL22235352 0.78 RXRA (0.55) RXRARXRBRXRGALOX15HSD17B10
SCHEMBL22235910 0.78 ALDH1A1 (0.45) RXRARXRBRXRGALOX15HSD17B10
SCHEMBL22235324 0.76 HCAR3 (0.58) RXRARXRBRXRGPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089540-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2022-03-24 US disclosed
EP-3911309-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER Board Of Trustees Of Michigan State University (US) 2021-11-24 EP disclosed
WO-2020150668-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-07-23 WO disclosed
EP-1180520-B1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2007-06-20 EP disclosed
US-6869959-B1 Heterocyclic carboxylic acid derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2005-03-22 US disclosed
EP-1180520-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2002-02-20 EP 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-20220089540-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER PDCD1, CD274, PDCD1LG2 RXRA 7/4885RXRB 6/4885RXRG 5/4885

“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.