SCHEMBL20548569

SCHEMBL20548569

CCCCCC(CCC)COC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 2/20 0.56
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
CA2 P00918 1/20 0.49
TP53 P04637 1/20 0.47
PLA2G4B P0C869 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 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
Benzoic Acid SCHEMBL28210602 0.94 PRSS1 (0.58) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL2919384 0.94 ALDH1A1 (0.62) ALDH1A1LMNACYP3A4HSD17B10MAPT
Benzoic Acid SCHEMBL8017354 0.90 PRSS1 (0.63) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL7867239 0.90 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL633459 0.90 PRSS1 (0.62) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL25308153 0.90 LMNA (0.68) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL2822334 0.90 PRSS1 (0.64) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL20183152 0.89 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL27775212 0.89 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL16144187 0.89 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117942903-A System for producing di (2-propylheptyl) terephthalate and application method thereof 张开益 2024-04-30 CN claimed
CN-115353453-A Preparation method of dimethyl terephthalate 中国天辰工程有限公司 2022-11-18 CN claimed
CN-107614585-B Plasticizer composition, resin composition and method for producing the same 株式会社LG化学 2021-12-03 CN claimed
CN-108699287-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2021-02-19 CN claimed
CN-108026322-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-06-19 CN claimed
CN-117942903-A System for producing di (2-propylheptyl) terephthalate and application method thereof 张开益 2024-04-30 CN disclosed
CN-117942903-A System for producing di (2-propylheptyl) terephthalate and application method thereof 张开益 2024-04-30 CN disclosed
CN-117942903-A System for producing di (2-propylheptyl) terephthalate and application method thereof 张开益 2024-04-30 CN disclosed
US-11945932-B2 Plasticizer for halogen resins KAO CORPORATION (JP) 2024-04-02 US disclosed
CN-117701141-A Insulating paint with high partial discharge initial voltage and preparation method and application thereof 艾伦塔斯电气绝缘材料(铜陵)有限公司 2024-03-15 CN disclosed
CN-116368120-A Monomer composition for synthesizing recycled plastic, method for preparing same, and recycled plastic, molded article, and plasticizer composition using same 株式会社LG化学 2023-06-30 CN disclosed
CN-116323547-A Monomer composition for synthesizing recycled plastic, method for producing the same, recycled plastic using the same, molded article, and plasticizer composition 株式会社LG化学 2023-06-23 CN disclosed
CN-109563309-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-11-03 CN disclosed
CN-111819233-A Plasticizer for halogen-based resin 花王株式会社 2020-10-23 CN disclosed
CN-109153815-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-10-02 CN disclosed
US-10731026-B2 Plasticizer composition and resin composition including the same LG CHEM, LTD. (KR) 2020-08-04 US disclosed
CN-108026322-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-06-19 CN disclosed
CN-108699286-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-06-02 CN disclosed
US-20190047938-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME LG CHEM, LTD. (KR) 2019-02-14 US disclosed
EP-3398987-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2018-11-07 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-20190047938-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME TAF1, TERB1, TRRAP ALDH1A1 3008/4885LMNA 4076/4885CYP3A4 2384/4885
US-10731026-B2 Plasticizer composition and resin composition including the same TAF1, TERB1, TRRAP ALDH1A1 3008/4885LMNA 4076/4885CYP3A4 2384/4885

“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.