SCHEMBL758035

SCHEMBL758035

C=CCOc1cccc(C(=O)OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.61
ADRB1 P08588 1/20 0.61
ADRB3 P13945 1/20 0.61
ALDH1A1 P00352 1/20 0.57
CYSLTR1 Q9Y271 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
KAT6A Q92794 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
FFAR1 O14842 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.47

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
SCHEMBL10145028 0.88 MAPT (0.50) ADRB2ADRB1ADRB3ALDH1A1CYSLTR1
SCHEMBL27294341 0.86 ADRB2 (0.62) ADRB2ADRB1ADRB3ALDH1A1NPC1
SCHEMBL4872864 0.85 ADRB2 (0.62) ADRB2ADRB1ADRB3ALDH1A1NPC1
SCHEMBL6898560 0.85 ALDH1A1 (0.53) ADRB2ADRB1ADRB3ALDH1A1CYSLTR1
SCHEMBL8567735 0.85 RAB9A (0.50) ADRB2ADRB1ADRB3ALDH1A1NPC1
SCHEMBL6942378 0.85 ADRB2 (0.48) ADRB2ADRB1ADRB3ALDH1A1CYSLTR1
SCHEMBL1092605 0.84 MAOB (0.59) ADRB2ADRB1ADRB3ALDH1A1NPC1
SCHEMBL20395893 0.84 MAPT (0.44) ADRB2ADRB1ADRB3ALDH1A1NPC1
SCHEMBL644117 0.84 MAPT (0.44) ADRB2ADRB1ADRB3ALDH1A1NPC1
SCHEMBL31589814 0.84 CYSLTR1 (0.53) ADRB2ADRB1ADRB3ALDH1A1CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226377-B Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2022-10-18 CN disclosed
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed
CN-111116419-B Treprostinil intermediate and preparation process thereof 江苏豪森药业集团有限公司 2022-03-29 CN disclosed
US-11225452-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2022-01-18 US disclosed
US-20200369592-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2020-11-26 US disclosed
US-10774027-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2020-09-15 US disclosed
CN-111116419-A Treprostinil intermediate and preparation process thereof 江苏豪森药业集团有限公司 2020-05-08 CN disclosed
US-20190233362-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2019-08-01 US disclosed
US-10196342-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2019-02-05 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US disclosed
EP-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 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 (8 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-10774027-B2 Synthesis of intermediates for producing prostacyclin derivatives PTGIS, PTGIR, PTGES ADRB2 1474/4885ADRB1 2169/4885ADRB3 1287/4885
US-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 ADRB2 319/4885ADRB1 574/4885ADRB3 248/4885
US-11225452-B2 Synthesis of intermediates for producing prostacyclin derivatives PTGIS, PTGIR, PTGS2 ADRB2 248/4885ADRB1 895/4885ADRB3 1036/4885
US-20190233362-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES ADRB2 1474/4885ADRB1 2169/4885ADRB3 1287/4885
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP ADRB2 1490/4885ADRB1 2961/4885ADRB3 2673/4885
US-10196342-B2 Synthesis of intermediates for producing prostacyclin derivatives PTGIS, PTGIR, PTGES ADRB2 1474/4885ADRB1 2169/4885ADRB3 1287/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP ADRB2 1490/4885ADRB1 2961/4885ADRB3 2673/4885
US-20200369592-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES ADRB2 1474/4885ADRB1 2169/4885ADRB3 1287/4885

“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.