SCHEMBL8679307

SCHEMBL8679307

C[C@H](O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
ACACB O00763 3/20 0.47
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.44
TYR P14679 1/20 0.44
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
EPHX1 P07099 1/20 0.44
COPS5 Q92905 1/20 0.42
GRIA4 P48058 1/20 0.42
NR1H4 Q96RI1 2/20 0.40
REN P00797 1/20 0.40
EPHX2 P34913 1/20 0.40
KCNH2 Q12809 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
SCHEMBL18253225 1.00 TSHR (0.58) TSHRTP53ACACBRECQLLMNA
SCHEMBL41070 0.87 ESR1 (0.44) TSHRTP53ACACB
SCHEMBL113650 0.85 TP53 (0.56) TSHRTP53ACACBRECQLLMNA
SCHEMBL8338248 0.83 TP53 (0.55) TSHRTP53ACACBRECQLLMNA
SCHEMBL196800 0.83 TAAR1 (0.48) TSHRLMNA
SCHEMBL547420 0.82 TSHR (0.62) TSHRTP53ACACBLMNAEBP
SCHEMBL19646258 0.82 ADORA3 (0.48) TSHRTP53ACACBLMNAKCNH2
SCHEMBL3200869 0.82 ESR1 (0.41) TSHRTP53ACACB
SCHEMBL25124242 0.81 TP53 (0.52) TSHRTP53ACACBRECQLLMNA
SCHEMBL2423098 0.81 ALDH1A1 (0.47) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053472-B2 Silicon-based fungicides and process for producing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-08-21 US disclosed
EP-3089985-B1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME COUNCIL SCIENT IND RES (IN) 2018-06-27 EP disclosed
US-20160326190-A1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-10 US disclosed
EP-3089985-A1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME Council of Scientific and Industrial Research (IN) 2016-11-09 EP disclosed
WO-2015102025-A1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-09 WO disclosed
US-5733755-A Method for the enantioselective synthesis of chiral derivatives of S-3-(4'-t INDUSTRIE CHIMICHE CAPPARO S.P.A. (IT) 1998-03-31 US disclosed
EP-0775683-A1 Method for the enantioselective synthesis of chiral derivatives of S-3-(4'-Tert-Butyl)-Phenyl-2-Methyl propylamine, systemic fungicides INDUSTRIE CHIMICHE CAFFARO S.p.A. (IT) 1997-05-28 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 (2 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-20160326190-A1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME CYP51A1, STS, LSS TSHR 4530/4885TP53 2777/4885ACACB 3925/4885
US-10053472-B2 Silicon-based fungicides and process for producing the same CYP51A1, STS, LSS TSHR 4530/4885TP53 2777/4885ACACB 3925/4885

“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.