SCHEMBL584898

SCHEMBL584898

O=Cc1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
DRD1 P21728 3/20 0.49
PPARG P37231 8/20 0.48
PPARA Q07869 8/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PPARD Q03181 1/20 0.45
MCL1 Q07820 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45

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
SCHEMBL16381756 0.98 CA12 (0.56) CA12CA1CA2CA9HDAC8
SCHEMBL26372840 0.86 DRD1 (0.41) CA12CA1CA2CA9HDAC8
SCHEMBL2863928 0.84 SOS1 (0.46) CA12CA1CA2CA9HDAC8
SCHEMBL6196935 0.84 DRD1 (0.45) CA12CA1CA2CA9HDAC8
SCHEMBL3798335 0.83 CA12 (0.62) CA12CA1CA2CA9HDAC8
SCHEMBL2863795 0.82 DRD1 (0.41) CA12CA1CA2CA9HDAC8
SCHEMBL16381822 0.82 ALDH1A1 (0.54) DRD1DRD2DRD4DRD5DRD3
SCHEMBL7569927 0.81 NPC1 (0.48) CA12CA1CA2CA9HDAC8
SCHEMBL30122908 0.81 CA12 (0.66) CA12CA1CA2CA9HDAC8
SCHEMBL1666926 0.81 DRD1 (0.60) DRD1DRD2DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114369055-B Organic compound and organic electroluminescent device comprising same 武汉尚赛光电科技有限公司 2024-06-28 CN disclosed
EP-3708563-B1 SELENOPSAMMAPLIN A AND DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, AND COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENTS SEOUL NAT UNIV R&DB FOUNDATION (KR) 2024-04-17 EP disclosed
US-11629123-B2 Selenopsammaplin A and derivative thereof, preparation method therefor, and composition for preventing and treating cancer, containing same as active ingredients SEOUL NATIONAL UNIVERSITY R & DB FOUNDATION (KR) 2023-04-18 US disclosed
CN-111225875-B Salt recovery solution and method of using salt recovery solution 阿克福特斯技术有限公司 2023-04-11 CN disclosed
US-11374176-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US disclosed
EP-3902664-A1 DECORATIVE WALL OR FLOOR COVERING INSTALLATION METHOD Tarkett GDL (LU) 2021-11-03 EP disclosed
US-20210171458-A1 SELENOPSAMMAPLIN A AND DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, AND COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENTS SEOUL NATIONAL UNIVERSITY R & DB FOUNDATION (KR) 2021-06-10 US disclosed
US-20210101861-A1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER THE UAB RESEARCH FOUNDATION (US) 2021-04-08 US disclosed
US-10800726-B2 Rexinoid compounds and methods of using rexinoid compounds for treating metabolic disorders and cancer THE UAB RESEARCH FOUNDATION (US) 2020-10-13 US disclosed
EP-3708563-A1 SELENOPSAMMAPLIN A AND DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, AND COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENTS Seoul National University R & DB Foundation (KR) 2020-09-16 EP disclosed
WO-2009089001-A2 DIRECT-TO-METAL RADIATION CURABLE COMPOSITIONS BAYER MATERIALSCIENCE LLC (US) 2009-07-16 WO disclosed
WO-2006085937-A1 UV CURABLE COATING COMPOSITION BAYER MATERIALSCIENCE LLC (US) 2006-08-17 WO disclosed
EP-1687385-A1 ULTRAVIOLET-CURABLE POLYOLS AND POLYURETHANE COMPOSITIONS MADE THEREFROM Bayer MaterialScience LLC (US) 2006-08-09 EP disclosed
CN-1630656-A Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORP (JP) 2005-06-22 CN disclosed
WO-2005049748-A1 ULTRAVIOLET-CURABLE POLYOLS AND POLYURETHANE COMPOSITIONS MADE THEREFROM BAYER MATERIALSCIENCE LLC (US) 2005-06-02 WO disclosed
EP-1164886-A1 LOOP FASTENING MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2002-01-02 EP disclosed
WO-2000057742-A1 LOOP FASTENING MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-10-05 WO disclosed
WO-1996005962-A1 RADIATION-CURABLE ORGANOPOLYSILOXANE RELEASE COMPOSITIONS AVERY DENNISON CORPORATION (US) 1996-02-29 WO disclosed
WO-1995023694-A1 RADIATION CURABLE SILICONE RELEASE COMPOSITIONS AND COATED SUBSTRATES AVERY DENNISON CORPORATION (US) 1995-09-08 WO disclosed
US-4254035-A BY REACTING GLYCINE AND AN AROMATIC ALDEHYDE IN THE PRESENCE OF ACETIC ANHYDRIDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-03 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 (5 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-11629123-B2 Selenopsammaplin A and derivative thereof, preparation method therefor, and composition for preventing and treating cancer, containing same as active ingredients PSAP, NOTUM, HASPIN CA12 3827/4885CA1 3946/4885CA2 4778/4885
US-20210171458-A1 SELENOPSAMMAPLIN A AND DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, AND COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENTS PSAP, NOTUM, HASPIN CA12 3827/4885CA1 3946/4885CA2 4778/4885
US-11374176-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 CA12 586/4885CA1 1053/4885CA2 2017/4885
US-10800726-B2 Rexinoid compounds and methods of using rexinoid compounds for treating metabolic disorders and cancer GPR119, PNLIP, LIPC CA12 4640/4885CA1 4852/4885CA2 4735/4885
US-20210101861-A1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER GPR119, PNLIP, RXRG CA12 4606/4885CA1 4849/4885CA2 4739/4885

“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.