SCHEMBL2454830

SCHEMBL2454830

COc1cc2oc(=O)c(F)c(C)c2c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ TSHR P16473 2/20 0.50
▸ PPARG P37231 1/20 0.50
▸ NCOA2 Q15596 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ HSD17B3 P37058 1/20 0.43
▸ PTGS1 P23219 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ CCR4 P51679 1/20 0.40

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
SCHEMBL4058366 0.84 RXFP1 (0.47) ALDH1A1TSHRPPARGNCOA2NCOA1
SCHEMBL21379597 0.81 HSD17B3 (0.46) ALDH1A1TSHRPPARGNCOA2NCOA1
SCHEMBL1147722 0.78 HSD17B3 (0.51) ALDH1A1TSHRSMN1; SMN2RXFP1KDM4E
SCHEMBL3063473 0.78 HSD17B3 (0.44) ALDH1A1TSHRPPARGNCOA2NCOA1
SCHEMBL5483956 0.76 MAOB (0.56) ALDH1A1KDM4EMAPTTDP1BRD4
SCHEMBL25190307 0.75 HSD17B3 (0.42) ALDH1A1TSHRPPARGNCOA2NCOA1
SCHEMBL20957619 0.73 HSD17B3 (0.58) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL451687 0.69 STS (0.40) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL30388842 0.69 MEN1 (0.54) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL6267436 0.68 HSD17B3 (0.41) HSD17B3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147278-B1 COMPOUND FOR TREATING BREAST CANCER AND PROGESTIN-DEPENDENT CONDITIONS UNIV TENNESSEE RES FOUND (US) 2020-02-12 — — EP disclosed
US-20190055192-A1 SELECTIVE ANDROGEN RECEPTOR MODULATOR AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2019-02-21 — — US disclosed
US-20180116994-A1 SARMS AND METHOD OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2018-05-03 — — US disclosed
US-20180071242-A1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2018-03-15 — — US disclosed
EP-3147278-A1 COMPOUND FOR TREATING BREAST CANCER AND PROGESTIN-DEPENDENT CONDITIONS University of Tennessee Research Foundation (US) 2017-03-29 — — EP disclosed
EP-2038252-B1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIV TENNESSEE RES FOUNDATION (US) 2016-11-02 — — EP disclosed
EP-2054049-B1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIV TENNESSEE RES FOUNDATION (US) 2016-04-13 — — EP disclosed
US-20160089356-A1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2016-03-31 — — US disclosed
US-9278914-B2 SARMs and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-03-08 — — US disclosed
US-8846756-B2 Substituted acylanilides and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-09-30 — — US disclosed
US-20100249228-A1 SARMS AND METHOD OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-09-30 — — US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 — — US disclosed
US-7772433-B2 SARMS and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-08-10 — — US disclosed
EP-2054049-A2 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF University of Tennessee Research Foundation (US) 2009-05-06 — — EP disclosed
EP-2038252-A2 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF University of Tennessee Research Foundation (US) 2009-03-25 — — EP disclosed
US-20080076828-A1 Substituted acylanilides and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-03-27 — — US disclosed
US-20080076829-A1 Substituted acylanilides and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-03-27 — — US disclosed
US-20080057068-A1 SARMS and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-03-06 — — US disclosed
WO-2008024456-A2 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-02-28 — — WO disclosed
WO-2008008433-A2 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-01-17 — — 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 (9 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 ALDH1A1 52/4885TSHR 2554/4885PPARG 1795/4885
US-20080076829-A1 Substituted acylanilides and methods of use thereof CPT1B, MTPN, MUSK ALDH1A1 1503/4885TSHR 3922/4885PPARG 776/4885
US-20180071242-A1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF CPT1B, MTPN, MUSK ALDH1A1 754/4885TSHR 4464/4885PPARG 1158/4885
US-20080057068-A1 SARMS and method of use thereof SARM1, CKMT1A; CKMT1B, TNNI3 ALDH1A1 1873/4885TSHR 2773/4885PPARG 1051/4885
US-20190055192-A1 SELECTIVE ANDROGEN RECEPTOR MODULATOR AND METHODS OF USE THEREOF AR, ESRRA, SHBG ALDH1A1 2404/4885TSHR 301/4885PPARG 49/4885
US-20100249228-A1 SARMS AND METHOD OF USE THEREOF CPT1B, FABP4, SARM1 ALDH1A1 1620/4885TSHR 3817/4885PPARG 428/4885
US-20080076828-A1 Substituted acylanilides and methods of use thereof CPT1B, MTPN, MUSK ALDH1A1 1558/4885TSHR 4035/4885PPARG 697/4885
US-20160089356-A1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF CPT1B, MTPN, MUSK ALDH1A1 754/4885TSHR 4464/4885PPARG 1158/4885
US-20180116994-A1 SARMS AND METHOD OF USE THEREOF SARM1, CPT1B, TNNI3 ALDH1A1 746/4885TSHR 4605/4885PPARG 1977/4885

“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.

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