SCHEMBL852513

SCHEMBL852513

CCOC(=O)C#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
VCP P55072 1/20 0.50
ADORA3 P0DMS8 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
FFAR1 O14842 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
NLRP3 Q96P20 1/20 0.43
PIN1 Q13526 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL2295271 0.90 SMN1; SMN2 (0.46) GAANPSR1VCPNPC1FFAR1
SCHEMBL27967652 0.86 LMNA (0.51) GAANPSR1VCPTSHRMEN1
SCHEMBL28747451 0.85 VCP (0.46) GAAVCPMEN1KMT2ANPC1
SCHEMBL5680676 0.84 TSHR (0.53) NPSR1VCPTSHRMEN1KMT2A
SCHEMBL9935172 0.84 CA12 (0.50) GAATSHRKMT2ANPC1RAB9A
SCHEMBL9934062 0.83 FFAR1 (0.59) GAANPC1FFAR1RAB9AHTT
SCHEMBL852379 0.82 L3MBTL1 (0.44) KMT2ARAB9ASMN1; SMN2TDP1
SCHEMBL2433672 0.82 APP (0.45) GAANPSR1MEN1KMT2ANPC1
SCHEMBL11544791 0.82 ALDH1A1 (0.53) NPC1
SCHEMBL2300644 0.82 ACACB (0.44) TSHRNPC1FFAR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028554-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES OSMO LABS PBC (US) 2026-01-29 US claimed
US-20250382419-A1 DISULFIDATED POLYMERS AND METHODS OF PREPARATION UNIV COLORADO REGENTS (US) 2025-12-18 US claimed
US-20240014444-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM BATTERY ZHANGJIAGANG GUOTAI-HUARONG NEW CHEMICAL MATERIALS CO., LTD (CN) 2024-01-11 US claimed
EP-4199168-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM BATTERY Zhangjiagang Guotai-Huarong New Chemical Materials Co., Ltd (CN) 2023-06-21 EP claimed
WO-2022111293-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM BATTERY 张家港市国泰华荣化工新材料有限公司 2022-06-02 WO claimed
CN-110283180-B Method for synthesizing pyridine [3,4-c ] coumarin 长沙理工大学 2022-03-29 CN claimed
CN-111285751-B Method for preparing alkene compound from alkyne compound 中国科学院化学研究所 2021-06-01 CN claimed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP claimed
CN-111285751-A Method for preparing alkene compound from alkyne compound 中国科学院化学研究所 2020-06-16 CN claimed
CN-106380463-A Method for synthesis of quinoline derivatives 南阳师范学院 2017-02-08 CN claimed
CN-106380446-A Synthesis method of quinoline-2-formic acid ester derivatives 南阳师范学院 2017-02-08 CN claimed
CN-106366035-A Method for synthesizing quinoline derivative 南阳师范学院 2017-02-01 CN claimed
CN-106349147-A Synthetic method of pyrrole derivatives 南阳师范学院 2017-01-25 CN claimed
CN-103788137-B Ferrocene piperidones compounds and preparation method thereof NANKAI UNIVERSITY (CN) 2016-05-11 CN claimed
CN-104003995-A Pyrone-[3, 4-b] indole derivative and synthetic method thereof UNIV SHANGHAI JIAOTONG 2014-08-27 CN claimed
CN-103788137-A Ferrocene piperidones compound and preparation method thereof UNIV NANKAI 2014-05-14 CN claimed
US-5663393-A CYCLIZATION; DECYCLIZATION; HYDROLYSIS; HYDROGENATION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-09-02 US claimed
EP-0643626-A4 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL. RES CORP TECHNOLOGIES INC (US) 1995-12-06 EP claimed
EP-0643626-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-22 EP claimed
WO-1993003838-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-03-04 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 (1 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-20260028554-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES TAS2R42, TAS2R4, TAS2R41 GAA 1984/4885NPSR1 2821/4885VCP 3681/4885

“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.