SCHEMBL614578

SCHEMBL614578

CCCCC#Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
THPO P40225 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
MMP2 P08253 1/20 0.47
MMP12 P39900 1/20 0.47
HTR2A P28223 1/20 0.47
TNK2 Q07912 1/20 0.47
APP P05067 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 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
Hydrochloric Acid SCHEMBL31144511 0.98 BLM (0.52) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5089564 0.96 NPSR1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5314931 0.94 FFAR1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL4073903 0.92 FFAR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL2027461 0.92 FFAR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL2350387 0.92 FFAR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL4071200 0.92 FFAR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL9015870 0.92 FFAR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL7139040 0.92 FFAR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5886588 0.89 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119633864-A Method for preparing thiophene compound by using one-pot method through double-function catalyst and catalyst used by same 浙江大学 2025-03-18 CN claimed
CN-118515716-A NNN-pyridine-quinoline cobalt complex, preparation method and catalytic alkyne hydrosilylation reaction 石河子大学 2024-08-20 CN claimed
CN-118028887-A Heterostructure electrocatalyst and preparation method and application thereof 临沂大学 2024-05-14 CN claimed
CN-113563372-B Alkenyl borate synthesis method 温州大学新材料与产业技术研究院 2023-12-12 CN claimed
CN-116969821-A Method for photo-thermal catalysis of hydration carbonylation reaction of 4-tert-butyl phenylacetylene by using carbon nano tube 南京工业大学 2023-10-31 CN claimed
CN-111592607-B Application of covalent organic framework material of supported rhodium catalyst in alkyne polymerization 北京理工大学 2023-06-20 CN claimed
CN-111644207-B Method for catalyzing dehydroboration of alkyne compounds 苏州大学 2023-05-12 CN claimed
CN-114560761-B Method for one-time synthesis of 2,3-disubstituted indanone derivative in aqueous phase 南京林业大学 2023-02-24 CN claimed
CN-115020686-A Graphite alkyne-red phosphorus composite material and preparation method and application thereof 东莞理工学院 2022-09-06 CN claimed
CN-115010126-A Method for preparing graphite diyne by using alkynyl negative ions 北方民族大学 2022-09-06 CN claimed
US-6852474-B2 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE INC. (US) 2005-02-08 US claimed
EP-1502292-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION Brewer Science, Inc. (US) 2005-02-02 EP claimed
US-20040176580-A1 Modified polyethylenephosphinic acids and their salts CLARIANT GMBH 2004-09-09 US claimed
US-20030224586-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-12-04 US claimed
WO-2003094213-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE, INC. (US) 2003-11-13 WO claimed
US-6600067-B2 Reacting phosphorous acid (H3PO3) directly with alkynes CLARIANT GMBH (DE) 2003-07-29 US claimed
US-6583315-B2 Reacting yellow elemental phosphorus with an alkyl halide under alkaline conditions; acidifying, esterifying, isolating and hydrolyzing to obtain purified alkylphosphonous acid; reacting with acetylene CLARIANT GMBH (DE) 2003-06-24 US claimed
US-20030073865-A1 PROCESS FOR PREPARING ETHANEBIS(ALKYLPHOSPHINIC) ACIDS CLARIANT GMBH 2003-04-17 US claimed
US-6479191-B1 COMPRISING A NON-AQUEOUS SOLVENT, AN ELECTROLYTE SALT DISSOLVED THEREIN AND AT LEAST ONE ALKYNE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2002-11-12 US claimed
US-20020082447-A1 Process for preparing ethylenediphosphonic acids CLARIANT GMBH 2002-06-27 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 (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-20040176580-A1 Modified polyethylenephosphinic acids and their salts PHOSPHO1, PTEN, PBRM1 CYP1A2 3968/4885CYP3A4 4488/4885CYP2C9 3014/4885
US-20030073865-A1 PROCESS FOR PREPARING ETHANEBIS(ALKYLPHOSPHINIC) ACIDS HAO2, ARSA, APEH CYP1A2 958/4885CYP3A4 797/4885CYP2C9 458/4885
US-20020082447-A1 Process for preparing ethylenediphosphonic acids ENPP1, ALK, INPPL1 CYP1A2 1166/4885CYP3A4 1361/4885CYP2C9 480/4885

“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.