SCHEMBL4857602

SCHEMBL4857602

CCCC(C)C#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
APP P05067 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL20368207 0.89 HTR2A (0.42) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL28242719 0.82 APP (0.41) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL28242604 0.82 APP (0.44) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL29306702 0.81 ACACB (0.39) SMN1; SMN2GRM5
SCHEMBL28900530 0.81 HTR2A (0.50) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL28896083 0.81 SIGMAR1 (0.45) HTR2AAPPSIGMAR1FFAR1CYP1A2
SCHEMBL13092394 0.80 HTR2A (0.39) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL15562779 0.79 HTR2A (0.38) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL25010948 0.79 CYP2A6 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19GRM5
SCHEMBL614604 0.78 KMT2A (0.42) HTR2AAPPNPSR1FFAR1SMN1; SMN2

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 19 patents. 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-116478190-A Boron-oxygen doped pi-extended mozzarella and synthesis method and application thereof 天津理工大学 2023-07-25 CN claimed
CN-116237081-A Wrapped Pd-Ni bimetallic catalyst, catalyst preparation method and application 东南大学 2023-06-09 CN claimed
CN-108675966-A A kind of method that simple silver catalyzes and synthesizes bis- substitution -1,2,3- triazoles of 1,5- 山东师范大学 2018-10-19 CN claimed
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 disclosed
CN-116237081-B Wrapped Pd-Ni bimetallic catalyst, catalyst preparation method and application 东南大学 2025-01-10 CN disclosed
CN-114213296-B Naphthalene series liquid crystal monomer compound containing isothiocyanato and preparation method and application thereof 中节能万润股份有限公司 2024-01-26 CN disclosed
CN-116478190-A Boron-oxygen doped pi-extended mozzarella and synthesis method and application thereof 天津理工大学 2023-07-25 CN disclosed
CN-116237081-A Wrapped Pd-Ni bimetallic catalyst, catalyst preparation method and application 东南大学 2023-06-09 CN disclosed
CN-114213296-A Naphthalene series liquid crystal monomer compound containing isothiocyanato, and preparation method and application thereof 中节能万润股份有限公司 2022-03-22 CN disclosed
CN-106674131-B A method of synthesis polysubstituted pyrimidine heterocyclic compound 华南理工大学 2019-08-20 CN disclosed
CN-109400611-A A kind of synthetic method of 1- vinyl -4,5- pyrrolin [1,2-a] quinoxaline compounds 南京林业大学 2019-03-01 CN disclosed
CN-106632194-B The method that Benzofurantone compound is prepared as CO source of release using iron pentacarbonyl 陕西师范大学 2018-12-07 CN disclosed
CN-106398714-B The preparation method of phenylacetylene class liquid crystal material 深圳超多维科技有限公司 2018-11-30 CN disclosed
CN-108675966-A A kind of method that simple silver catalyzes and synthesizes bis- substitution -1,2,3- triazoles of 1,5- 山东师范大学 2018-10-19 CN disclosed
CN-108558753-A The method that carbostyril compound is prepared as CO source of releases using iron pentacarbonyl 陕西师范大学 2018-09-21 CN disclosed
CN-108383699-A B-form DNA promotes the method that Sonogashira reactions prepare acetylenic ketone compound 陕西师范大学 2018-08-10 CN disclosed
US-7374700-B2 Hexenediyne derivative ASAHI GLASS COMPANY, LIMITED (JP) 2008-05-20 US disclosed
US-20070241310-A1 HEXENEDIYNE DERIVATIVE ASAHI GLASS CO., LTD. (JP) 2007-10-18 US 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 (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-20070241310-A1 HEXENEDIYNE DERIVATIVE CCNA1, CCNT1, CCND3 HTR2A 584/4885APP 2728/4885SIGMAR1 303/4885

“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.