SCHEMBL2482070

SCHEMBL2482070

CCCC[Sn](CCCC)(CCCC)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSPD1 P10809 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2C P28335 1/20 0.45
HSPE1 P61604 1/20 0.45
HIF1A Q16665 1/20 0.45
TST Q16762 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1983658 0.89 TSHR (0.32) LMNATP53CYP1A2CYP2D6TSHR
SCHEMBL28882602 0.83 ESR1 (0.45) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL15648819 0.82 BDKRB2 (0.36) LMNAKDM4EALDH1A1TP53CYP3A4
SCHEMBL15648671 0.82 BDKRB2 (0.36) LMNAKDM4EALDH1A1TP53CYP3A4
SCHEMBL1452840 0.80 HTT (0.38) LMNAALDH1A1CYP3A4ACHECYP1A2
SCHEMBL2701941 0.79 TSHR (0.34) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5787759 0.78 MAPT (0.41) SLC6A3LMNAALDH1A1CYP3A4CHRM2
SCHEMBL1096789 0.78 HTR7 (0.41) LMNAACHETSHR
SCHEMBL2721463 0.78 CYP1A2 (0.39) LMNAKDM4EALDH1A1TP53CYP1A2
SCHEMBL154543 0.78 TP53 (0.37) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
EP-2376408-A2 FLUORINATION OF ORGANIC COMPOUNDS President and Fellows of Harvard College (US) 2011-10-19 EP disclosed
WO-2010059943-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 WO disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed
EP-0082793-A1 Derivatives with a uronic acid structure, their preparation and their biological applications D.R.O.P.I.C. (Société Civile) (FR) 1983-06-29 EP disclosed
US-4297516-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
US-4283550-A BRONCHODILATOR AGENTS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID (US) 1981-08-11 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 (5 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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR ESR1 3000/4885ADRA2A 220/4885ADORA3 2251/4885
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 ESR1 2180/4885ADRA2A 3726/4885ADORA3 2177/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR ESR1 3000/4885ADRA2A 220/4885ADORA3 2251/4885
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA ESR1 571/4885ADRA2A 547/4885ADORA3 1264/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA ESR1 431/4885ADRA2A 595/4885ADORA3 1009/4885

“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.