SCHEMBL68968

SCHEMBL68968

O=C(O)C#Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
APP P05067 1/20 0.55
VCP P55072 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HSP90AA1 P07900 2/20 0.52
AGTR1 P30556 1/20 0.52
PAX8 Q06710 1/20 0.52
TLR9 Q9NR96 1/20 0.52
FFAR1 O14842 7/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
PAM P19021 1/20 0.47
FFAR4 Q5NUL3 1/20 0.45
POLB P06746 1/20 0.44
NLRP3 Q96P20 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
Benzene SCHEMBL28174766 1.00 NPSR1 (0.59) NPSR1APPVCPNPC1RAB9A
SCHEMBL7611739 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
SCHEMBL2281388 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
Ammonia Solution, Strong SCHEMBL20473394 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
SCHEMBL6552221 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
SCHEMBL6553632 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
SCHEMBL9629210 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
SCHEMBL6554023 0.97 NPSR1 (0.63) NPSR1APPVCPNPC1RAB9A
SCHEMBL28226784 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
Hydrochloric Acid SCHEMBL1569398 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A

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 1488 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-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-118985603-A Application of linolenic acid and/or phenylpropionic acid in inhibiting growth activity of pathogenic bacteria of tobacco root rot and preventing and treating tobacco root rot 湖北省烟草科学研究院 2024-11-22 CN claimed
US-20240124910-A1 RIBOSOME-MEDIATED POLYMERIZATION OF NOVEL CHEMISTRIES NORTHWESTERN UNIVERSITY 2024-04-18 US claimed
US-11920023-B2 Composite materials for dielectric applications ROHM AND HAAS ELECTRONIC MATERIALS LLC. (US) 2024-03-05 US claimed
CN-117285454-A Synthesis method of indole derivative and benzodipyrrole derivative 南京邮电大学 2023-12-26 CN claimed
US-20230348706-A1 COMPOSITE MATERIALS FOR DIELECTRIC APPLICATIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-11-02 US claimed
CN-116903866-A Polyvinyl alcohol modified multifunctional powder slump retaining agent and preparation method thereof 江苏奥莱特新材料股份有限公司 2023-10-20 CN claimed
WO-2023284262-A1 3,4-FUSED SEVEN-MEMBERED HETEROCYCLIC OXINDOLE, SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF 青岛农业大学 2023-01-19 WO claimed
WO-2022173627-A2 RIBOSOME-MEDIATED POLYMERIZATION OF NOVEL CHEMISTRIES NORTHWESTERN UNIVERSITY (US) 2022-08-18 WO claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed
EP-0701996-A1 Process for the separation of aminodiphenyl from diphenylamine BAYER AG (DE) 1996-03-20 EP claimed
WO-1995027288-A1 ELECTRICALLY CONDUCTIVE PLASTIC AND METHOD FOR MAKING SAME PERTHUISOT, OLIVIER (FR) 1995-10-12 WO claimed
US-5194496-A Blends with homo-or copolymers of styrene; heat resistance; melt prcessability ECP ENICHEM POLIMERI S.R.L. (IT) 1993-03-16 US claimed
EP-0480384-A2 Polyphenylene oxide compositions stabilized with alkynoic acids ENICHEM S.p.A. (IT) 1992-04-15 EP claimed
US-4514361-A 2,4-DIHYDROXYBENZOIC ACID, PHENYLPROPIOLIC ACID OR SALTS; BROMCRESOL PURPLE ARVEY CORPORATION (US) 1985-04-30 US claimed
EP-0105420-A1 Steam sterilization indicator ARVEY CORPORATION (US) 1984-04-18 EP claimed
US-3963826-A Low temperature, low pressure hydrogen gettering THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) 1976-06-15 US 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 NPSR1 2821/4885APP 3785/4885VCP 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.