SCHEMBL4101868

SCHEMBL4101868

C#Cc1ccc(-c2cc(-c3ccc(C#C)cc3)cc(-c3ccc(C#C)cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
KEAP1 Q14145 1/20 0.43
ESR1 P03372 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EGLN2 Q96KS0 1/20 0.36
CYP1B1 Q16678 3/20 0.36
CYP1A1 P04798 2/20 0.36
PTPN1 P18031 1/20 0.34
CYP1A2 P05177 2/20 0.34
MMP3 P08254 1/20 0.33
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL139611 0.91 HDAC8 (0.50) HDAC8KEAP1CA12CA1CA2
SCHEMBL139848 0.91 HDAC8 (0.50) HDAC8KEAP1CA12CA1CA2
Water SCHEMBL11190539 0.88 HDAC8 (0.48) HDAC8KEAP1CA12CA1CA2
SCHEMBL10481156 0.88 HDAC8 (0.48) HDAC8KEAP1CA12CA1CA2
SCHEMBL3838919 0.87 MEN1 (0.48) HDAC8KEAP1ESR1CA12CA1
SCHEMBL19608770 0.83 KEAP1 (0.37) HDAC8KEAP1ESR1CA12CA1
SCHEMBL6347456 0.82 EGLN2 (0.44) HDAC8KEAP1ESR1CA12CA1
SCHEMBL22666813 0.81 MYC (0.43) HDAC8KEAP1ESR1
SCHEMBL28871 0.80 HDAC8 (0.59) HDAC8KEAP1CA12CA1CA2
SCHEMBL77549 0.80 CYP1A2 (0.52) HDAC8KEAP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116376098-B Conjugated microporous cesium ion exchanger containing sulfonic group and preparation method thereof 齐齐哈尔大学 2025-03-25 CN claimed
CN-119425411-A Preparation method of uniform compact alcohol-permselective composite membrane 北京化工大学 2025-02-14 CN claimed
CN-116706225-B Lithium-rich PAF composite single-ion quasi-solid polymer electrolyte, preparation method and application 东北师范大学 2025-01-10 CN claimed
CN-119140156-A Composite material containing porous polymer and preparation method and application thereof 首都师范大学 2024-12-17 CN claimed
CN-115869785-B Ultrafast preparation method of graphite alkyne composite membrane 北京化工大学 2024-11-26 CN claimed
CN-118750912-A Delayed coking defoaming agent and preparation method thereof 江苏创新石化有限公司 2024-10-11 CN claimed
US-20240335795-A1 Method For Preparing Porous Aromatic Framework Membranes Based on Inorganic Salt Template Method NORTHEAST NORMAL UNIVERSITY (CN) 2024-10-10 US claimed
CN-118472365-A PAF-based all-solid-state polymer electrolyte, preparation method and application 东北师范大学 2024-08-09 CN claimed
CN-118325080-A Conjugated microporous organic polymer hollow sphere and preparation method and application thereof 上海大学 2024-07-12 CN claimed
CN-117843931-A Azaquinone-based polymer material, and preparation method and application thereof 井冈山大学 2024-04-09 CN claimed
CN-115869785-A Ultrafast preparation method of graphite alkyne composite membrane 北京化工大学 2023-03-31 CN claimed
CN-115572373-A Organic porous polymer for organic dye adsorption and preparation method thereof 山东大学 2023-01-06 CN claimed
CN-115304747-A Phosphonic acid alkyl chain modified conjugated microporous polymer, preparation method and application thereof 南京理工大学 2022-11-08 CN claimed
CN-112098397-B Flexible PTEPB photoelectrode, preparation method and application 中国药科大学 2022-10-14 CN claimed
CN-114920907-A Aminated porous aromatic skeleton compound and preparation method and application thereof 福建农林大学 2022-08-19 CN claimed
CN-113321786-B Sulfonic conjugated microporous polymer, preparation method and application 南京理工大学 2022-06-28 CN claimed
CN-114653344-A Triazole gel material, preparation method thereof and application of triazole gel material in adsorption of organic pollutants 中山大学 2022-06-24 CN claimed
CN-113321787-B Nitroxide free radical functionalized porous organic polymer nanotube and preparation method and application thereof 贵州师范大学 2022-06-17 CN claimed
CN-109626353-B Centimeter-sized graphite alkyne synthesized by liquid-liquid interfacial polymerization reaction and preparation method and application thereof 中山大学 2022-05-27 CN claimed
CN-110499137-A A kind of fire resistant polyimide carrier model adhesive and preparation method thereof INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCES 2019-11-26 CN 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-20240335795-A1 Method For Preparing Porous Aromatic Framework Membranes Based on Inorganic Salt Template Method SHROOM3, SIN3A, KCNN2 HDAC8 4327/4885KEAP1 1793/4885ESR1 4796/4885

“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.