SCHEMBL4665111

SCHEMBL4665111

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
ACACB O00763 3/20 0.50
TBXAS1 P24557 2/20 0.49
COPS5 Q92905 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
ACE P12821 1/20 0.47
EPHX1 P07099 1/20 0.46
EPHX2 P34913 2/20 0.46
PPARG P37231 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
LMNA P02545 1/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX5 P09917 1/20 0.44
RARB P10826 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4665113 1.00 TP53 (0.56) TP53TSHRACACBTBXAS1COPS5
SCHEMBL2949302 1.00 TP53 (0.56) TP53TSHRACACBTBXAS1COPS5
Water SCHEMBL27787621 0.96 TP53 (0.53) TP53TSHRACACBTBXAS1COPS5
SCHEMBL11394881 0.86 REN (0.50) TP53TSHRACACBCOPS5ALDH1A1
SCHEMBL11237591 0.86 TBXAS1 (0.59) TSHRTBXAS1ACEPTGS1PTGS2
SCHEMBL13235832 0.85 TP53 (0.56) TP53TSHRACACBCOPS5ALDH1A1
SCHEMBL4446998 0.84 TBXAS1 (0.46) TP53TSHRTBXAS1EPHX2PPARG
SCHEMBL5803560 0.84 ACACB (0.42) TP53TSHRACACBCOPS5ALDH1A1
SCHEMBL14947065 0.84 PPARA (0.56) TBXAS1ACEEPHX2PPARG
SCHEMBL10077533 0.84 PPARA (0.56) TBXAS1ACEEPHX2PPARG

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 14 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 claimed
EP-3089985-B1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME COUNCIL SCIENT IND RES (IN) 2018-06-27 EP claimed
US-20160326190-A1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-10 US claimed
EP-3089985-A1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME Council of Scientific and Industrial Research (IN) 2016-11-09 EP claimed
WO-2015102025-A1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-09 WO claimed
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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (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-20160326190-A1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME CYP51A1, STS, LSS TP53 2777/4885TSHR 4530/4885ACACB 3925/4885
US-10053472-B2 Silicon-based fungicides and process for producing the same CYP51A1, STS, LSS TP53 2777/4885TSHR 4530/4885ACACB 3925/4885
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 TP53 1776/4885TSHR 412/4885ACACB 2127/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 TP53 1776/4885TSHR 412/4885ACACB 2127/4885

“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.