SCHEMBL2123237

SCHEMBL2123237

[CH2]C(C)CC#CCCCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PTPN7 P35236 4/20 0.33
HMGCR P04035 2/20 0.33
RECQL P46063 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2120790 0.85
SCHEMBL9547880 0.80 TSHR (0.43) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL55033 0.76 TSHR (0.53) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL3632705 0.74
SCHEMBL2121156 0.74
SCHEMBL9547965 0.73 PTPN7 (0.43) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL2120933 0.73
SCHEMBL11854278 0.73 TSHR (0.50) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL6179604 0.71 TSHR (0.36) TSHR
SCHEMBL157348 0.71

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423739-B Improved enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines in the presence of chiral iridium catalysts and additives 拜耳公司 2024-06-25 CN disclosed
CN-114514223-B Process for enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines comprising using novel iridium catalysts 拜耳公司 2024-05-17 CN disclosed
EP-2444401-B1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2444401-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 US disclosed
EP-0693284-A1 PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT TEIJIN LIMITED (JP) 1996-01-24 EP 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-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND CMA1, ACE, ALPI TSHR 4076/4885PTPN7 601/4885HMGCR 3924/4885

“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.