SCHEMBL248400

SCHEMBL248400

COc1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.79
CA2 P00918 2/20 0.79
CA12 O43570 1/20 0.69
CA9 Q16790 1/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.67
USP2 O75604 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPT P10636 1/20 0.66

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
SCHEMBL30738251 1.00 CA1 (0.79) CA1CA2CA12CA9MEN1
SCHEMBL21346113 0.96 CA1 (0.73) CA1CA2CA12CA9MEN1
SCHEMBL21346179 0.96 CA1 (0.73) CA1CA2CA12CA9MEN1
SCHEMBL21346474 0.94 CA1 (0.72) CA1CA2CA12CA9MEN1
SCHEMBL2742531 0.93 CA1 (0.78) CA1CA2CA12CA9MEN1
SCHEMBL2742529 0.93 CA1 (0.82) CA1CA2CA12CA9MEN1
SCHEMBL6382633 0.92 CA1 (0.69) CA1CA2CA12CA9MEN1
SCHEMBL146690 0.92 CA1 (0.69) CA1CA2CA12CA9MEN1
SCHEMBL4026085 0.92 CA1 (0.69) CA1CA2CA12CA9MEN1
SCHEMBL6802359 0.92 ALDH1A1 (0.70) CA1CA2CA12CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551094-B Preparation method of high-optical-purity rotundine 云南省药物研究所 2024-04-05 CN claimed
CN-117551094-A Preparation method of high-optical-purity rotundine 云南省药物研究所 2024-02-13 CN claimed
CN-111848512-A Powder injection pharmaceutical composition prepared from high-purity papaverine hydrochloride 山东北大高科华泰制药有限公司 2020-10-30 CN claimed
EP-0054174-B1 TOPICAL COSMETIC FORMULATIONS FOR THE TREATMENT OF VERY GREASY HAIR AND SEBORRHOEIC SKIN Henkel Kommanditgesellschaft auf Aktien (DE) 1986-08-20 EP claimed
CN-117551094-B Preparation method of high-optical-purity rotundine 云南省药物研究所 2024-04-05 CN disclosed
CN-117551094-B Preparation method of high-optical-purity rotundine 云南省药物研究所 2024-04-05 CN disclosed
CN-117551094-A Preparation method of high-optical-purity rotundine 云南省药物研究所 2024-02-13 CN disclosed
CN-117551094-A Preparation method of high-optical-purity rotundine 云南省药物研究所 2024-02-13 CN disclosed
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2022-12-08 US disclosed
CN-111848512-A Powder injection pharmaceutical composition prepared from high-purity papaverine hydrochloride 山东北大高科华泰制药有限公司 2020-10-30 CN disclosed
US-8815900-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-08-26 US disclosed
US-8815900-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-08-26 US disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
WO-1997029106-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1997-08-14 WO disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP disclosed
US-4956389-A CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS WITH N-METHYL-N-BIS(3,4-DIMETHOXYPHENYLETHYL)AMINE YASON S.R.L. (IT) 1990-09-11 US disclosed
US-4493823-A USING CARBOXYBENZENE COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-01-15 US disclosed
EP-0054174-A2 Topical cosmetic formulations for the treatment of very greasy hair and seborrhoeic skin Henkel Kommanditgesellschaft auf Aktien (DE) 1982-06-23 EP disclosed
US-4192877-A BIS(POLYALKOXYBENZYL)-TETRAHYDROISOQUINOLIUM ALKYL M- OR P- PHENYLENE DIPROPIONATE SALT MASSACHUSETTS GENERAL HOSPITAL (US) 1980-03-11 US disclosed
US-4126615-A RANEY NICKEL CATALYST CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1978-11-21 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-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A CA1 4218/4885CA2 3697/4885CA12 2637/4885

“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.