SCHEMBL56335

SCHEMBL56335

COc1ccc([C]=O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
ACHE P22303 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CA4 P22748 2/20 0.45
CA6 P23280 1/20 0.45
TPMT P51580 1/20 0.45
AR P10275 3/20 0.43
ACACB O00763 1/20 0.42

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
SCHEMBL6197396 0.85 MAPK1 (0.49) TSHRMAPK1PDE4AGAA
SCHEMBL3662959 0.85 ALDH1A1 (0.43) ACHETSHRALDH1A1CYP1A2CYP2C9
SCHEMBL2702025 0.85 MAPT (0.54) TSHRALDH1A1MAPK1HPGDPDE4A
SCHEMBL16641175 0.83 CA2 (0.54) CA2CA12CA1CA7CA9
SCHEMBL10669643 0.83 TSHR (0.58) TSHRALDH1A1NR3C1GAA
SCHEMBL6210745 0.83 AR (0.40) ACHETSHRALDH1A1CYP3A4MAPK1
SCHEMBL11673151 0.83 ALDH1A1 (0.40) CA2CA12CA1CA7CA9
SCHEMBL11593518 0.83 ALDH1A1 (0.39) CA2CA12CA1CA7CA9
SCHEMBL2123029 0.83 AR (0.44) ACHEALDH1A1CYP3A4ARHPGD
SCHEMBL9528325 0.82 FDPS (0.50) ALDH1A1CYP2C9CYP2C19POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227036-B Ethylenediamine compound and application thereof 中国人民解放军军事科学院军事医学研究院 2023-04-11 CN claimed
EP-3904330-A1 ETHYLENEDIAMINE COMPOUND AND USE THEREOF Academy Of Military Medical Sciences (CN) 2021-11-03 EP claimed
CN-113227036-A Ethylenediamine compound and application thereof 中国人民解放军军事科学院军事医学研究院 2021-08-06 CN claimed
US-11077116-B2 Isoxazole derivatives as inducers of fetal hemoglobin in erythroid precursor cells from beta-thalassemic patients RARE PARTNERS SRL (IT) 2021-08-03 US claimed
US-20210130315-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-05-06 US claimed
CN-111757880-A Method for synthesizing cyclic depsipeptides 拜耳动物保健有限责任公司 2020-10-09 CN claimed
EP-3676265-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES Bayer Animal Health GmbH (DE) 2020-07-08 EP claimed
US-20200206234-A1 ISOXAZOLE DERIVATIVES AS INDUCERS OF FETAL HEMOGLOBIN IN ERYTHROID PRECURSOR CELLS FROM BETA-THALASSEMIC PATIENTS RARE PARTNERS SRL (IT) 2020-07-02 US claimed
WO-2020135569-A1 ETHYLENEDIAMINE COMPOUND AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-07-02 WO claimed
CN-107759429-B Method for synthesizing chiral pyrimidine acyclic nucleoside containing sulfur side chain through conjugate addition-protonation reaction 河南师范大学 2020-06-16 CN claimed
US-4785010-A AGING RESISTANCE OF HUMANS CASSELLA AKTIENGESELLSCHAFT (DE) 1988-11-15 US claimed
EP-0259268-A1 Process for the preparation of optically active beta-lactams CIBA-GEIGY AG (CH) 1988-03-09 EP claimed
EP-0257102-A1 AGENTS FOR TREATING NEUROPHATHY Mitsui Chemicals, Inc. (JP) 1988-03-02 EP claimed
US-4661512-A Adamantanamine derivatives, processes for their preparation and drugs in which they are present S. A. PANMEDICA (FR) 1987-04-28 US claimed
EP-0124067-B1 2-(AMINOALKYL)-PYRROLE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1986-12-17 EP claimed
EP-0124067-A1 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use CASSELLA Aktiengesellschaft (DE) 1984-11-07 EP claimed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP claimed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US claimed
US-4010193-A (ALKYLAMINO)ALKYL SUBSTITUTED BENZOATES, LOCAL ANESTHETIC, ANTIFIBRILLATORY, ANTIARRHYTHMIAL CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT (HU) 1977-03-01 US claimed
US-3954774-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-05-04 US 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 (3 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-20210130315-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES DNPEP, NPEPPS, PREP CA2 3070/4885CA12 565/4885CA1 2176/4885
US-11077116-B2 Isoxazole derivatives as inducers of fetal hemoglobin in erythroid precursor cells from beta-thalassemic patients HBZ, HBB, HBG2 CA2 1098/4885CA12 2661/4885CA1 3309/4885
US-20200206234-A1 ISOXAZOLE DERIVATIVES AS INDUCERS OF FETAL HEMOGLOBIN IN ERYTHROID PRECURSOR CELLS FROM BETA-THALASSEMIC PATIENTS HBZ, HBB, HBG2 CA2 1098/4885CA12 2661/4885CA1 3309/4885

“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.