SCHEMBL2590701

SCHEMBL2590701

COC(=O)CCC1=CCc2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.48
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
HTR7 P34969 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 3/20 0.36
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL17119519 0.80 KDM4E (0.43) NQO2MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL15032056 0.76 HTR7 (0.45) NQO2MTNR1AMTNR1BHTR7KDM4C
SCHEMBL8246440 0.76 HTR7 (0.45) NQO2MTNR1AMTNR1BHTR7KDM4C
SCHEMBL2594098 0.76 NQO2 (0.42) NQO2MTNR1AMTNR1BMAPTMAPK14
SCHEMBL11659645 0.74 PPARG (0.45) NQO2MTNR1AMTNR1BKDM4C
SCHEMBL8430589 0.74 HTR7 (0.43) NQO2MTNR1AMTNR1BHTR7ACHE
SCHEMBL7571658 0.73 DPP9 (0.40) NQO2MTNR1AMTNR1BHTR7KDM4C
SCHEMBL14155148 0.71 HTR7 (0.40) NQO2MTNR1AMTNR1BHTR7KDM4C
SCHEMBL8253224 0.71 HTR7 (0.40) NQO2MTNR1AMTNR1BHTR7KDM4C
SCHEMBL27708787 0.70 LMNA (0.36) NQO2MTNR1AMTNR1BHTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571497-A2 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY Sanford-Burnham Medical Research Institute (US) 2013-03-27 EP claimed
CN-103002887-A Methods and compositions relating to retinoid receptor selective pathways SANFORD BURNHAM MED RES INST 2013-03-27 CN claimed
WO-2011140525-A2 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-11-10 WO claimed
CN-107050007-B Methods and compositions relating to retinoid receptor selective pathways 桑福德 - 伯纳姆医学研究所 2020-06-30 CN disclosed
US-10087156-B2 Methods and compositions related to retinoid receptor-selective pathway Sanford Burnham Prebys Medical Discovery Institute (US) 2018-10-02 US disclosed
EP-2571497-B1 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY SANFORD BURNHAM MED RES INST (US) 2018-09-19 EP disclosed
US-20170313668-A1 METHODS AND COMPOSITIONS RELATED TO RETINOID RECEPTOR-SELECTIVE PATHWAY Sanford Burnham Prebys Medical Discovery Institute 2017-11-02 US disclosed
US-20170313668-A1 METHODS AND COMPOSITIONS RELATED TO RETINOID RECEPTOR-SELECTIVE PATHWAY Sanford Burnham Prebys Medical Discovery Institute 2017-11-02 US disclosed
US-20170313668-A1 METHODS AND COMPOSITIONS RELATED TO RETINOID RECEPTOR-SELECTIVE PATHWAY Sanford Burnham Prebys Medical Discovery Institute 2017-11-02 US disclosed
US-9611235-B2 Methods and compositions related to a retinoid receptor-selective pathway SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-04-04 US disclosed
US-9611235-B2 Methods and compositions related to a retinoid receptor-selective pathway SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-04-04 US disclosed
US-9611235-B2 Methods and compositions related to a retinoid receptor-selective pathway SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-04-04 US disclosed
US-20150266842-A1 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY US ARMY, SECRETARY OF THE ARMY 2015-09-24 US disclosed
US-20150266842-A1 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY US ARMY, SECRETARY OF THE ARMY 2015-09-24 US disclosed
US-20150266842-A1 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY US ARMY, SECRETARY OF THE ARMY 2015-09-24 US disclosed
EP-2571497-A2 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY Sanford-Burnham Medical Research Institute (US) 2013-03-27 EP disclosed
CN-103002887-A Methods and compositions relating to retinoid receptor selective pathways SANFORD BURNHAM MED RES INST 2013-03-27 CN disclosed
WO-2011140525-A2 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-11-10 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 (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-20170313668-A1 METHODS AND COMPOSITIONS RELATED TO RETINOID RECEPTOR-SELECTIVE PATHWAY RXRG, RXRB, RXRA NQO2 3355/4885MTNR1A 574/4885MTNR1B 954/4885
US-10087156-B2 Methods and compositions related to retinoid receptor-selective pathway RXRG, RXRB, RXRA NQO2 3355/4885MTNR1A 574/4885MTNR1B 954/4885
US-20150266842-A1 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY RXRG, RXRB, RXRA NQO2 2156/4885MTNR1A 399/4885MTNR1B 848/4885

“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.