SCHEMBL2586594

SCHEMBL2586594

CCOC(=O)CC1=C(C)Cc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 1/20 0.38
PPARG P37231 4/20 0.37
OPRM1 P35372 1/20 0.37
RXRA P19793 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL7789904 0.88 PPARG (0.35) LMNAMEN1MAPTKMT2APPARG
SCHEMBL28794754 0.85 ALDH1A1 (0.47) LMNAPPARGRXRA
SCHEMBL7032828 0.83 NR4A1 (0.35) LMNABRD4PPARG
SCHEMBL17853664 0.82 PPARG (0.36) LMNAMEN1CYP1A2MAPTCYP2C9
SCHEMBL3862066 0.82 PPARG (0.36) CYP1A2MAPTCYP2C9KMT2APPARG
SCHEMBL2594098 0.76 NQO2 (0.42) LMNAMEN1CYP1A2MAPTCYP2C9
SCHEMBL24821194 0.75 KDM4C (0.45) LMNAMEN1CYP1A2MAPTCYP2C9
SCHEMBL31288115 0.74 PPARG (0.49) LMNAMEN1CYP1A2MAPTCYP2C9
SCHEMBL5712303 0.74 HTR2A (0.36) PPARGRXRA
SCHEMBL11665044 0.73 ACHE (0.36) CYP1A2MAPTNPSR1PPARGMAOB

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 24 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-102030642-A Synthesis method and application of intermediate of sulindac analogue UNIV XIAMEN 2011-04-27 CN claimed
EP-3978473-B1 COMPOUND CONTAINING AN INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF BEIJING AN JIAN XI BIO MEDICAL TECH CO LTD (CN) 2026-05-06 EP disclosed
EP-3978473-A1 COMPOUND CONTAINING AN INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF Beijing An Jian Xi Bio-Medical Technology Co., Ltd (CN) 2022-04-06 EP disclosed
EP-3252039-B1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF BEIJING AN JIAN XI BIO MEDICAL TECH CO LTD (CN) 2021-11-03 EP disclosed
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-20180022700-A1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF BEIJING AN JIAN XI BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2018-01-25 US disclosed
EP-3252039-A1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF Beijing An Jian Xi Bio-Medical Technology Co., Ltd (CN) 2017-12-06 EP 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
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
WO-2011140525-A2 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-11-10 WO disclosed
CN-102030642-A Synthesis method and application of intermediate of sulindac analogue UNIV XIAMEN 2011-04-27 CN 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-20180022700-A1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF IDO1, TPH1, IDO2 LMNA 2460/4885MEN1 69/4885CYP1A2 399/4885
US-10087156-B2 Methods and compositions related to retinoid receptor-selective pathway RXRG, RXRB, RXRA LMNA 1345/4885MEN1 4249/4885CYP1A2 3693/4885
US-20150266842-A1 METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY RXRG, RXRB, RXRA LMNA 1244/4885MEN1 4800/4885CYP1A2 2827/4885

“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.