SCHEMBL343223

SCHEMBL343223

COC(=O)C(C)c1ccc(I)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
SLC6A3 Q01959 1/20 0.47
MT-CO2 P00403 1/20 0.46
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
ACACB O00763 1/20 0.45
KMT2A Q03164 1/20 0.42
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
GSK3B P49841 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL12896284 0.83 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL11130803 0.83 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL4413580 0.82 PTGS1 (0.60) HPGDSLC6A3MT-CO2PTGS2PTGS1
SCHEMBL1345145 0.82 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL12424105 0.82 HPGD (0.51) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1346074 0.82 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1747458 0.82 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL8626625 0.81 TSHR (0.40) PTGS2ACACBKMT2ATDP1
SCHEMBL5148090 0.80 CYP1A2 (0.51) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL8862131 0.80 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292226-B Compound with hydroxamic acid structure and preparation method and application thereof 沈阳药科大学 2023-04-18 CN disclosed
CN-114292226-A Compound with hydroxamic acid structure and preparation method and application thereof 沈阳药科大学 2022-04-08 CN disclosed
CN-111704912-A Novel preparation method of 3-alkenyl benzyne liquid crystal compound 烟台丰蓬液晶材料有限公司 2020-09-25 CN disclosed
EP-2785690-B1 PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-9188886-B2 Image holding member for image forming apparatus, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2015-11-17 US disclosed
US-8936858-B2 Organic electroluminescent element and display FUJI XEROX CO., LTD. (JP) 2015-01-20 US disclosed
US-8900726-B2 2014-12-02 US disclosed
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed
US-20050059730-A1 Thiophene-containing compound and thiophene-containing compound polymer FUJIFILM BUSINESS INNOVATION CORP. (JP) 2005-03-17 US disclosed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
US-5942600-A COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL G. D. SEARLE & CO. (US) 1999-08-24 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 (4 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-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 HPGD 259/4885SLC6A3 1904/4885MT-CO2 161/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 HPGD 353/4885SLC6A3 2028/4885MT-CO2 1490/4885
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT HPGD 979/4885SLC6A3 1899/4885MT-CO2 4625/4885
US-20050059730-A1 Thiophene-containing compound and thiophene-containing compound polymer SLCO4C1, SLCO2A1, SLCO2B1 HPGD 1968/4885SLC6A3 28/4885MT-CO2 1289/4885

“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.