SCHEMBL15569334

SCHEMBL15569334

C#Cc1ccc(C23CC4(c5ccc(C#C)cc5)CC(c5ccc(C#C)cc5)(C2)CC(c2ccc(C#C)cc2)(C3)C4)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.39
CYP2C9 P11712 1/20 0.38
PGR P06401 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 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
SCHEMBL6368529 0.85 PGR (0.46) CYP2C9PGR
SCHEMBL2188047 0.79 HDAC8 (0.31) HDAC8CYP2C9
SCHEMBL419847 0.76 LMNA (0.57) PGR
SCHEMBL3619202 0.75 PGR (0.58) PGRCA12CA2CA9CA14
SCHEMBL2763490 0.75 PGR (0.33) PGR
SCHEMBL28871 0.74 HDAC8 (0.59) HDAC8CYP2C9CA12CA1CA2
SCHEMBL9400014 0.72 GABRP (0.35) HDAC8CYP2C9GABRPGABRDGABRA1
SCHEMBL7195361 0.71 CA12 (0.39) HDAC8CYP2C9CA12CA1CA2
SCHEMBL5185591 0.71 APP (0.55) CYP2C9CA12CA1CA2CA9
SCHEMBL10481152 0.71 HDAC8 (0.56) HDAC8CYP2C9CA12CA1CA2

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-114618450-B Conjugated microporous polymer composite material, preparation method thereof and adsorbent 北京石墨烯技术研究院有限公司 2022-08-02 CN claimed
CN-114618450-A Conjugated microporous polymer composite material, preparation method thereof and adsorbent 北京石墨烯技术研究院有限公司 2022-06-14 CN claimed
CN-118613316-A System and method for direct air capture of water and CO2 巴特尔纪念研究院 2024-09-06 CN disclosed
US-20230294033-A1 ULTRAMICRO TO MESOPORE FRAMEWORKS FOR SELECTIVE SEPARATION AND STORAGE OF NOBLE GASES BATTELLE MEMORIAL INSTITUTE (US) 2023-09-21 US disclosed
US-20230264138-A1 SYSTEM AND METHOD FOR DIRECT AIR CAPTURE OF WATER AND CO2 BATTELLE MEMORIAL INSTITUTE 2023-08-24 US disclosed
WO-2023146800-A1 SYSTEM AND METHOD FOR DIRECT AIR CAPTURE OF WATER AND CO2 BATTELLE MEMORIAL INSTITUTE (US) 2023-08-03 WO disclosed
US-20230233989-A1 SYSTEM AND METHOD FOR DIRECT AIR CAPTURE OF WATER AND CO2 BATTELLE MEMORIAL INSTITUTE (US) 2023-07-27 US disclosed
CN-114920907-B Aminated porous aromatic skeleton compound and preparation method and application thereof 福建农林大学 2023-06-20 CN disclosed
CN-114920907-A Aminated porous aromatic skeleton compound and preparation method and application thereof 福建农林大学 2022-08-19 CN disclosed
CN-114618450-B Conjugated microporous polymer composite material, preparation method thereof and adsorbent 北京石墨烯技术研究院有限公司 2022-08-02 CN disclosed
CN-114618450-A Conjugated microporous polymer composite material, preparation method thereof and adsorbent 北京石墨烯技术研究院有限公司 2022-06-14 CN disclosed
US-11318409-B2 Ultramicro to mesopore frameworks for selective separation and storage of noble gases BATTELLE MEMORIAL INSTITUTE (US) 2022-05-03 US disclosed
US-10266737-B2 Adsorption systems using metal-organic frameworks ARKEMA INC. (US) 2019-04-23 US disclosed
US-20190091623-A1 ULTRAMICRO TO MESOPORE FRAMEWORKS FOR SELECTIVE SEPARATION AND STORAGE OF NOBLE GASES BATTELLE MEMORIAL INSTITUTE (US) 2019-03-28 US disclosed
CN-105026854-A Adsorption systems using metal-organic frameworks ARKEMA INC 2015-11-04 CN disclosed
US-20150291870-A1 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS ARKEMA INC. 2015-10-15 US disclosed
EP-2885365-A2 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS Arkema, Inc. (US) 2015-06-24 EP disclosed
WO-2014028574-A9 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS ARKEMA INC. (US) 2015-04-02 WO disclosed
WO-2014028574-A2 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS ARKEMA INC. (US) 2014-02-20 WO 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 (2 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-20150291870-A1 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS PFAS, CHIA, PARN HDAC8 382/4885CYP2C9 1686/4885PGR 883/4885
US-10266737-B2 Adsorption systems using metal-organic frameworks PFAS, CHIA, PARN HDAC8 382/4885CYP2C9 1686/4885PGR 883/4885

“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.