SCHEMBL2468516

SCHEMBL2468516

CC1(C)CC(=O)c2cc(C=O)[nH]c2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 2/20 0.35
ALPL P05186 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL370336 0.77 TDP1 (0.46) RXFP1TP53THRBALDH1A1HTT
SCHEMBL17372395 0.76 RXFP1 (0.50) RXFP1TP53THRBALDH1A1HTT
SCHEMBL7661207 0.73 RXFP1 (0.42) RXFP1TP53THRBALDH1A1HTT
SCHEMBL8283565 0.71 RXFP1 (0.41) RXFP1TP53THRBALDH1A1HTT
SCHEMBL4325559 0.70 CYP2C19 (0.45) RXFP1TP53THRBALDH1A1HTT
SCHEMBL1078880 0.70 PKN1 (0.47) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL7671814 0.70 RXFP1 (0.40) RXFP1TP53THRBALDH1A1HTT
SCHEMBL7670474 0.69 RXFP1 (0.39) RXFP1TP53THRBALDH1A1HTT
SCHEMBL4422412 0.68 ALDH1A1 (0.49) RXFP1TP53THRBALDH1A1HPGD
SCHEMBL17371875 0.68 CDC7 (0.65) RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-9162981-B2 Compositions and methods for treatment of neurodegenerative disease THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-20 US disclosed
US-9162981-B2 Compositions and methods for treatment of neurodegenerative disease THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-20 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
EP-2550263-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE The Johns Hopkins University (US) 2013-01-30 EP disclosed
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 WO disclosed
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 WO 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-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE CLN6, PSEN2, CHAT RXFP1 4435/4885TP53 3810/4885THRB 4059/4885
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease CLN6, PSEN2, CHAT RXFP1 4435/4885TP53 3810/4885THRB 4059/4885

“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.