SCHEMBL2594098

SCHEMBL2594098

CCOC(=O)CC1=CCc2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
MAPT P10636 3/20 0.38
PPARG P37231 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.38
MAOB P27338 1/20 0.36
TSHR P16473 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 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
SCHEMBL24821194 0.88 KDM4C (0.45) MAPTPPARGLMNAMEN1KMT2A
SCHEMBL19985008 0.83 NQO2 (0.43) NQO2MTNR1AMTNR1BNPSR1CYP1A2
SCHEMBL11659645 0.83 PPARG (0.45) NQO2MTNR1AMTNR1BPPARG
SCHEMBL3703857 0.80 SMN1; SMN2 (0.42) CYP1A2TSHRHPGD
SCHEMBL31686158 0.80 SMN1; SMN2 (0.42) CYP1A2TSHRHPGD
SCHEMBL31618140 0.80 MPO (0.42) MAPTPPARGLMNAMEN1KMT2A
SCHEMBL7571658 0.79 DPP9 (0.40) NQO2MTNR1AMTNR1BPPARG
SCHEMBL9626670 0.76 THRB (0.41) NQO2MTNR1AMTNR1BLMNAMEN1
SCHEMBL2590701 0.76 NQO2 (0.48) NQO2MTNR1AMTNR1BMAPTLMNA
SCHEMBL21538691 0.75 NPC1 (0.41) MAPTLMNAKMT2ACYP1A2CYP2C9

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 27 patents — showing the first 20. 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
WO-2011140525-A2 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-11-10 WO 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
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 US disclosed
US-7491744-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2009-02-17 US disclosed
US-7491744-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2009-02-17 US disclosed
CN-101031289-A Indoleacetic and indeneacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity UNIV VANDERBILT (US) 2007-09-05 CN disclosed
EP-1744747-A2 INDOLEACETIC ACID AND INDENACETIC ACID DERIVATIVES AS THERAPEUTIC AGENTS WITH REDUCED GASTROINTESTINAL TOXICITY Vanderbilt University (US) 2007-01-24 EP disclosed
WO-2005112921-A2 INDOLEACETIC ACID AND INDENACETIC ACID DERIVATIVES AS THERAPEUTIC AGENTS WITH REDUCED GASTROINTESTINAL TOXICITY VANDERBILT UNIVERSITY (US) 2005-12-01 WO disclosed
US-20050250839-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2005-11-10 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 (4 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-20050250839-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity AANAT, FABP2, SI NQO2 2394/4885MTNR1A 7/4885MTNR1B 14/4885
US-10087156-B2 Methods and compositions related to retinoid receptor-selective pathway RXRG, RXRB, RXRA NQO2 3355/4885MTNR1A 574/4885MTNR1B 954/4885
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity AANAT, FABP2, SI NQO2 2394/4885MTNR1A 7/4885MTNR1B 14/4885

“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.