SCHEMBL66413

SCHEMBL66413

CC(C)C(C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
SLC7A5 Q01650 2/20 0.47
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
GABRR1 P24046 2/20 0.35
RNPEP Q9H4A4 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
Water SCHEMBL8870694 0.96 TP53 (0.47) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL659817 0.92 TP53 (0.50) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL16438180 0.92 TP53 (0.50) TP53SLC7A5SLC1A3SLC1A2SLC1A1
Acetic Acid SCHEMBL28467894 0.90 FFAR3 (0.44) TP53SLC7A5SLC1A3SLC1A2SLC1A1
Propene SCHEMBL27948180 0.85 TP53 (0.38) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL17049853 0.83 TP53 (0.42) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL2297452 0.83 TP53 (0.50) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL15592505 0.83 TP53 (0.50) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL15113031 0.83 TP53 (0.42) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL28263618 0.83 TP53 (0.50) TP53SLC7A5SLC1A3SLC1A2SLC1A1

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 295 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111926307-B Method for manufacturing graphene film, porous silicon dioxide powder and transparent conducting layer 北海惠科光电技术有限公司 2023-04-07 CN claimed
EP-3914605-B1 PEPTIDE PRECIPITATION METHOD DSM IP ASSETS BV (NL) 2022-12-07 EP claimed
EP-3914605-A1 PEPTIDE PRECIPITATION METHOD DSM IP Assets B.V. (NL) 2021-12-01 EP claimed
CN-113330021-A Peptide precipitation method 帝斯曼知识产权资产管理有限公司 2021-08-31 CN claimed
CN-110316726-B Graphene nanowire film, preparation method thereof and thin film transistor array 惠科股份有限公司 2021-07-02 CN claimed
CN-112680719-A Graphene film, preparation method thereof and thin film transistor array 北海惠科光电技术有限公司 2021-04-20 CN claimed
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
WO-2020152246-A1 PEPTIDE PRECIPITATION METHOD DSM IP ASSETS B.V. (NL) 2020-07-30 WO claimed
WO-2020148787-A1 ENANTIOSELECTIVE SYNTHESIS OF BRIVARACETAM AND INTERMEDIATES THEREOF CLININVENT RESEARCH PVT. LTD. (IN) 2020-07-23 WO claimed
EP-3088955-B1 RESIST COMPOSITION AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-06-03 EP claimed
WO-2009074574-A1 METHOD FOR PRODUCING ISOPROPANOL AND 2-BUTANOL FROM THE CORRESPONDING ALKANES BASF SE (DE) 2009-06-18 WO claimed
US-7199144-B2 Process for the preparation of valsartan and intermediates thereof TEVA PHARMACEUTICALS INDUSTRIES, LTD. (IL) 2007-04-03 US claimed
US-20060004098-A1 Compounds useful for treating neurological disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-01-05 US claimed
EP-1556363-A2 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATES THEREOF Teva Pharmaceutical Industries Limited (IL) 2005-07-27 EP claimed
US-20050059827-A1 Process for the preparation of valsartan and intermediates thereof TEVA PHARMACEUTICALS INDUSTRIES LTD. (IL) 2005-03-17 US claimed
WO-2004094391-A2 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-11-04 WO claimed
US-20030212131-A1 Propylisopropyl acetic acid and propylisopropyl acetamide stereoisomers, a method for their synthesis and pharmaceutical compositions containing them BIALER MEIR (IL) 2003-11-13 US claimed
US-20030036489-A1 Consumable composition comprising perfumed particles and article containing the same THE PROCTER & GAMBLE COMPANY 2003-02-20 US claimed
WO-2002090479-A1 PERFUMED PARTICLES AND ARTICLES CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed

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-20050059827-A1 Process for the preparation of valsartan and intermediates thereof REN, AGT, ACE TP53 3982/4885SLC7A5 1766/4885SLC1A3 2202/4885
US-20030212131-A1 Propylisopropyl acetic acid and propylisopropyl acetamide stereoisomers, a method for their synthesis and pharmaceutical compositions containing them ADCYAP1R1, GRIN2A, PTGER1 TP53 4058/4885SLC7A5 3003/4885SLC1A3 659/4885
US-20060004098-A1 Compounds useful for treating neurological disorders GAP43, CLN6, NLN TP53 4873/4885SLC7A5 2983/4885SLC1A3 169/4885

“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.