SCHEMBL4472117

SCHEMBL4472117

[Li]C(CC(C)CC)(c1ccc(CCCCCCCCCCCC)cc1)c1cccc(C([Li])(CC(C)CC)c2ccc(CCCCCCCCCCCC)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR2A P28223 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSPD1 P10809 1/20 0.39
ADRB3 P13945 1/20 0.39
HTR2C P28335 1/20 0.39
HSPE1 P61604 1/20 0.39

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
SCHEMBL9307998 0.92 ESR1 (0.45) THRATHRBESR1ADRA2AADORA3
SCHEMBL19717785 0.75 TNNC1 (0.35) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11438838 0.72 GRIN1 (0.36) SLC6A2SLC6A4SLC6A3CYP3A4KCNH2
SCHEMBL9548222 0.71 ESR1 (0.44) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11433185 0.68 SLC6A4 (0.38) SLC6A2SLC6A4ALDH1A1HSD17B10KCNH2
SCHEMBL2135458 0.68 ESR1 (0.32) ESR1SLC6A4HTR2ALMNAHTR2C
SCHEMBL19712125 0.66 CNR2 (0.41) ESR1
SCHEMBL20656591 0.66 CNR2 (0.39)
SCHEMBL28368700 0.66 SIGMAR1 (0.41) HTR2AALDH1A1KCNH2TRPV1TNNC1
SCHEMBL23849704 0.66 ESR1 (0.77) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168179-A1 CYCLOPOLYARYLENE METAL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-06-16 US disclosed
US-9266909-B2 Cyclic compound containing functional group or containing no functional group, and method for producing same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-02-23 US disclosed
US-9029551-B2 Carbon nanoring, method for producing same, compound suitable as starting material for producing the carbon nanoring, and method for producing the compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-05-12 US disclosed
US-20150126779-A1 CYCLIC COMPOUND CONTAINING FUNCTIONAL GROUP OR CONTAINING NO FUNCTIONAL GROUP, AND METHOD FOR PRODUCING SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-05-07 US disclosed
US-20130324768-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-12-05 US disclosed
US-20130041155-A1 CARBON NANORING, METHOD FOR PRODUCING SAME, COMPOUND SUITABLE AS STARTING MATERIAL FOR PRODUCING THE CARBON NANORING, AND METHOD FOR PRODUCING THE COMPOUND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-02-14 US disclosed
EP-2546219-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME National University Corporation Nagoya University (JP) 2013-01-16 EP disclosed
EP-2537824-A1 CARBON NANORING, METHOD FOR PRODUCING SAME, COMPOUND SUITABLE AS STARTING MATERIAL FOR PRODUCING THE CARBON NANORING, AND METHOD FOR PRODUCING THE COMPOUND National University Corporation Nagoya University (JP) 2012-12-26 EP disclosed
EP-1600479-B1 Resin composition and golf ball JSR CORP (JP) 2009-01-21 EP disclosed
EP-1245585-B1 Hydrogenated modified polymer, process for producing the same and composition containing the same JSR CORP (JP) 2008-05-21 EP disclosed
EP-1600479-A1 Resin composition and golf ball JSR Corporation (JP) 2005-11-30 EP disclosed
EP-1293535-B1 Resin composition and golf ball JSR CORP (JP) 2005-08-03 EP disclosed
US-6887929-B2 Resin composition and golf ball JSR CORPORATION (JP) 2005-05-03 US disclosed
US-6838538-B2 Hydrogenated modified polymer, process for producing the same and composition containing the same JSR CORPORATION (JP) 2005-01-04 US disclosed
US-20030130425-A1 Resin composition and golf ball JSR CORPORATION (JP) 2003-07-10 US disclosed
EP-1293535-A2 Resin composition and golf ball JSR Corporation (JP) 2003-03-19 EP disclosed
EP-1245585-A2 Hydrogenated modified polymer, process for producing the same and composition containing the same JSR Corporation (JP) 2002-10-02 EP 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-20160168179-A1 CYCLOPOLYARYLENE METAL COMPLEX MCCC2, MT-CO3, SCO2 THRA 3925/4885THRB 4219/4885ESR1 4490/4885
US-20130324768-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME CBR1, CBR3, CYC1 THRA 4455/4885THRB 4496/4885ESR1 3523/4885
US-20150126779-A1 CYCLIC COMPOUND CONTAINING FUNCTIONAL GROUP OR CONTAINING NO FUNCTIONAL GROUP, AND METHOD FOR PRODUCING SAME CYP1B1, BCR, DDT THRA 4271/4885THRB 3629/4885ESR1 3188/4885
US-20130041155-A1 CARBON NANORING, METHOD FOR PRODUCING SAME, COMPOUND SUITABLE AS STARTING MATERIAL FOR PRODUCING THE CARBON NANORING, AND METHOD FOR PRODUCING THE COMPOUND CBR1, CRBN, CBR3 THRA 4420/4885THRB 4026/4885ESR1 2550/4885

“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.