SCHEMBL338034

SCHEMBL338034

CC(C)CC1CC(=O)OC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
SORT1 Q99523 1/20 0.31
MME P08473 1/20 0.31
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30
CTSF Q9UBX1 1/20 0.30

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
SCHEMBL6867891 0.86 MAPT (0.35) MAPT
SCHEMBL16012061 0.81 MAPT (0.37) MAPTCYP1A2
SCHEMBL2897172 0.78 CHRM5 (0.41) MAPTCYP1A2SMN1; SMN2
SCHEMBL13025301 0.78 CHRM5 (0.41) MAPTCYP1A2SMN1; SMN2
SCHEMBL2897176 0.78 CHRM5 (0.41) MAPTCYP1A2SMN1; SMN2
SCHEMBL2691391 0.78
SCHEMBL12172484 0.78 TSHR (0.40) CYP1A2SMN1; SMN2TSHR
SCHEMBL7082613 0.74 MAPT (0.60) MAPTCYP1A2SMN1; SMN2SORT1MME
SCHEMBL8507193 0.74 ALDH1A1 (0.42) SMN1; SMN2TSHRMME
SCHEMBL5870408 0.74 ALDH1A1 (0.42) SMN1; SMN2TSHRMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120084903-A Method for detecting related substances in 3-isobutyl glutaric anhydride 河北圣雪大成制药有限责任公司 2025-06-03 CN claimed
CN-120037202-A Lipid nanoparticle based on cationic lipid with branched structure at junction and application of lipid nanoparticle 浙江大学 2025-05-27 CN claimed
CN-119108620-A Method for assembling lithium battery by polymer electrolyte 浙江大学 2024-12-10 CN claimed
CN-119081040-A Preparation method of chemically recyclable polyacetal and product and chemical recycling method thereof 浙江大学 2024-12-06 CN claimed
CN-118702912-A Preparation method of spontaneously degradable cyclic poly (ester-peptide), product and degradation method thereof 浙江大学 2024-09-27 CN claimed
CN-118125600-B Composite carbon source for removing nitrogen component in wastewater and preparation method thereof 广州市豫泉净水材料有限公司 2024-08-30 CN claimed
CN-118406203-A Preparation method of intrinsic flame-retardant high-strength polyacetal and product thereof 浙江大学 2024-07-30 CN claimed
CN-118271586-A Method for synthesizing polyester by ionic liquid catalysis 福州大学 2024-07-02 CN claimed
CN-118271570-A Preparation method of organic phosphine-terminated non-conjugated oxygen-enriched fluorescent polymer, and product and application thereof 浙江大学 2024-07-02 CN claimed
CN-118125600-A Composite carbon source for removing nitrogen component in wastewater and preparation method thereof 广州市豫泉净水材料有限公司 2024-06-04 CN claimed
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin KANSAL VINOD K 2008-02-28 US claimed
US-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin KANSAL VINOD K 2008-02-21 US claimed
US-20070293694-A1 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-12-20 US claimed
WO-2007139933-A2 PROCESSES FOR THE PREPARATION OF R-(+)-3-(CARBAMOYL METHYL)-5-METHYLHEXANOIC ACID AND SALTS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-06 WO claimed
EP-1841726-A1 AN ASYMMETRIC SYNTHESIS OF ( S ) - ( + ) -3- (AMINOMETHYL) -5-METHYLHEXANOIC ACID Teva Pharmaceutical Industries Ltd (IL) 2007-10-10 EP claimed
US-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-23 US claimed
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL USA, INC. 2007-08-16 US claimed
EP-1802568-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-04 EP claimed
WO-2007035890-A1 AN ASYMMETRIC SYNTHESIS OF ( S ) - ( + ) -3- (AMINOMETHYL) -5-METHYLHEXANOIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 WO claimed
WO-2007035789-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 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 (5 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-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE MAPT 2162/4885CYP1A2 447/4885SMN1; SMN2 3043/4885
US-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin GABRE, GABRA5, GABRA6 MAPT 1546/4885CYP1A2 624/4885SMN1; SMN2 2803/4885
US-20070293694-A1 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof RIMKLA, GABRE, GRIK5 MAPT 1937/4885CYP1A2 966/4885SMN1; SMN2 2850/4885
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 MAPT 1546/4885CYP1A2 624/4885SMN1; SMN2 2803/4885
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 MAPT 1546/4885CYP1A2 624/4885SMN1; SMN2 2803/4885

“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.