SCHEMBL1718112

SCHEMBL1718112

O=C(CCl)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
LMNA P02545 2/20 0.73
JAK2 O60674 1/20 0.73
RAB9A P51151 1/20 0.73
EPHX2 P34913 7/20 0.59
EPHX1 P07099 2/20 0.59
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL22196871 0.85 LMNA (1.00) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL24667562 0.84 ALDH1A1 (0.55) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL19808524 0.84 ALDH1A1 (0.55) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL9743900 0.84 HDAC3 (0.64) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL12846029 0.82 ALDH1A1 (0.53) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL18007753 0.82 ALDH1A1 (0.53) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL23884204 0.81 EPHX2 (0.61) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL3374604 0.81 JAK2 (0.51) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL5994123 0.80 ALDH1A1 (0.50) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL5805076 0.79 ALDH1A1 (0.50) ALDH1A1LMNAJAK2RAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111647165-B Preparation method and application of dendritic supramolecular polymer based on cyclodextrin 天津科技大学 2021-09-28 CN claimed
CN-111647165-A Preparation method and application of dendritic supramolecular polymer based on cyclodextrin 天津科技大学 2020-09-11 CN claimed
US-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2024-04-25 US disclosed
WO-2023125751-A1 DIA-BASED QUANTITATIVE CHEMICAL PROTEOMICS TARGET SCREENING METHOD 北京大学 2023-07-06 WO disclosed
US-11655238-B2 MMPL3 inhibitors, compositions and uses thereof SHANGHAITECH UNIVERSITY (CN) 2023-05-23 US disclosed
US-11655238-B2 MMPL3 inhibitors, compositions and uses thereof SHANGHAITECH UNIVERSITY (CN) 2023-05-23 US disclosed
US-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
WO-2022165198-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-08-04 WO disclosed
US-20220017492-A1 MMPL3 INHIBITORS, COMPOSITIONS AND USES THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-01-20 US disclosed
CN-111647165-B Preparation method and application of dendritic supramolecular polymer based on cyclodextrin 天津科技大学 2021-09-28 CN disclosed
US-20210134398-A1 Combinatorial Chemistry Computational System and Enhanced Selection Method NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-6995285-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2006-02-07 US disclosed
US-20050267215-A1 ATP binding cassette transporter 1 (ABCA-1); increases high density lipoprotein (HDL) levels; use treating coronary artery disease; N-phenyl-N-(2-hydroxy-cyclohexyl)-2-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-ylamino)acetamide for example CV THERAPEUTICS, INC. 2005-12-01 US disclosed
US-20050043353-A1 Cinchona-alkaloid-based catalysts, and asymmetric alcoholysis of cyclic anhydrides using them BRANDEIS UNIVERSITY 2005-02-24 US disclosed
WO-2004110609-A2 CATALYTIC ASYMMETRIC DESYMMETRIZATION OF PROCHIRAL AND MESO CYCLIC ANHYDRIDES BRANDEIS UNIVERSITY (US) 2004-12-23 WO disclosed
US-6713650-B2 ELEVATES ATP BINDING CASSETTE TRANSPORTER 1 EXPRESSION THEREBY INCREASING EFFLUX OF CHOLESTEROL FROM CELLS BY ACTIVE TRANSFER INTO HIGH DENSITY LIPOPROTEINS CV THERAPEUTICS, INC. 2004-03-30 US disclosed
EP-1377283-A2 COMPOUNDS OF THE FORMULA R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2004-01-07 EP disclosed
WO-2003103651-A1 COMPOUNDS OF THE FORMU;A R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CAD OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-12-18 WO disclosed
US-20020082257-A1 ABCA-1 Elevating compounds CV THERAPEUTICS, INC. 2002-06-27 US disclosed
WO-2002046141-A2 COUMPOUNDS OF THE FORMULA R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 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 (7 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-20050267215-A1 ATP binding cassette transporter 1 (ABCA-1); increases high density lipoprotein (HDL) levels; use treating coronary artery disease; N-phenyl-N-(2-hydroxy-cyclohexyl)-2-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-ylamino)acetamide for example ABCD3, ABCF1, ABCC2 ALDH1A1 459/4885LMNA 1082/4885JAK2 4884/4885
US-11655238-B2 MMPL3 inhibitors, compositions and uses thereof TIMP3, AFG3L2, MMP3 ALDH1A1 4205/4885LMNA 762/4885JAK2 3766/4885
US-20220017492-A1 MMPL3 INHIBITORS, COMPOSITIONS AND USES THEREOF TIMP3, AFG3L2, MMP3 ALDH1A1 4205/4885LMNA 762/4885JAK2 3766/4885
US-20050043353-A1 Cinchona-alkaloid-based catalysts, and asymmetric alcoholysis of cyclic anhydrides using them CA7, CA9, CA1 ALDH1A1 47/4885LMNA 321/4885JAK2 3844/4885
US-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E ALDH1A1 3247/4885LMNA 1556/4885JAK2 2009/4885
US-20020082257-A1 ABCA-1 Elevating compounds ABCD3, ABCE1, ABCB4 ALDH1A1 399/4885LMNA 1603/4885JAK2 4873/4885
US-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF CUTA, DCXR, PLOD3 ALDH1A1 349/4885LMNA 555/4885JAK2 1558/4885

“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.