SCHEMBL2822855

SCHEMBL2822855

CCC(CC)CC(C)(C)[C](C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL9452527 0.79
SCHEMBL8846435 0.76 TSHR (0.32) TSHR
SCHEMBL4160188 0.74 ACACB (0.38) TSHR
SCHEMBL28523280 0.71 TSHR (0.36) TSHR
SCHEMBL10525100 0.71 ALDH1A1 (0.37) TSHR
Silver SCHEMBL9709907 0.70 CA2 (0.35) TSHR
SCHEMBL9710130 0.70 CA2 (0.38) TSHR
SCHEMBL506180 0.69 TSHR (0.38) TSHR
SCHEMBL100145 0.65
SCHEMBL3277841 0.65 ALDH1A1 (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
EP-2483340-B1 UV-STABLE POLYCARBONATE COMPOSITIONS WITH IMPROVED PROPERTIES BAYER IP GMBH (DE) 2014-12-17 EP disclosed
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
EP-2239261-A1 PYRROLOPYRIMIDIN DERIVATIVE FOR USE AS PI3K INHIBITOR, AND USE THEREOF Chugai Seiyaku Kabushiki Kaisha (JP) 2010-10-13 EP disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
EP-1311471-B1 PHENYL- AND PHENYLALKYL-SUBSTITUTED ETHANOLAMINES AND ETHYLENEDIAMINES BOEHRINGER INGELHEIM PHARMA (DE) 2006-04-12 EP disclosed
US-20040162428-A1 6-(2,6-difluorophenyl)-triazolopyrimidines as fungicides BASF AKTIENGESELLSCHAFT (DE) 2004-08-19 US disclosed
US-6444748-B1 ADJUSTMENT OF PH; MULTISTAGE POLYMERIZATION BASF AKTIENGESELLSCHAFT (DE) 2002-09-03 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 (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-20040162428-A1 6-(2,6-difluorophenyl)-triazolopyrimidines as fungicides CBR3, CBR1, CNPY2 TSHR 2408/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 TSHR 3412/4885
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CSNK1A1, CSK, CSNK1A1L TSHR 3447/4885

“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.