SCHEMBL1506598

SCHEMBL1506598

COc1ccc(C(C)(C)CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AOC3 Q16853 1/20 0.50
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL4593380 0.85 CNR1 (0.48) ALDH1A1LMNAALOX15HSD17B10TDP1
SCHEMBL729772 0.83 AOC3 (0.51) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL3436081 0.82 NPC1 (0.60) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL7749333 0.81 NQO1 (0.56) ALDH1A1TDP1CYP3A4SMN1; SMN2MAPT
SCHEMBL7166618 0.80 CYP3A4 (0.59) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL6865347 0.80 LMNA (0.49) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL989033 0.80 TAAR1 (0.56) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL18622727 0.80 CA1 (0.48) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL10876942 0.79 NR1H4 (0.47) ALDH1A1LMNAMAPK1CYP3A4SMN1; SMN2
SCHEMBL9559033 0.79 EPHX2 (0.47) LMNACYP3A4SMN1; SMN2MAPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115006406-A Stable olanzapine preparation 南京清普生物科技有限公司 2022-09-06 CN claimed
CN-112006981-A Long-acting compound insect repellent liquid preparation and preparation method and application thereof 瑞普(天津)生物药业有限公司 2020-12-01 CN claimed
CN-107333766-B Slow-release snake repellent 中国人民解放军62040部队 2020-01-10 CN claimed
CN-112006981-B Long-acting compound anthelmintic liquid preparation and preparation method and application thereof 瑞普(天津)生物药业有限公司 2023-01-10 CN disclosed
CN-115006406-A Stable olanzapine preparation 南京清普生物科技有限公司 2022-09-06 CN disclosed
CN-114306233-A Agomelatine self-microemulsion preparation 常州恒邦药业有限公司 2022-04-12 CN disclosed
CN-112006981-A Long-acting compound insect repellent liquid preparation and preparation method and application thereof 瑞普(天津)生物药业有限公司 2020-12-01 CN disclosed
CN-107333766-B Slow-release snake repellent 中国人民解放军62040部队 2020-01-10 CN disclosed
CN-106344509-B Cefquinome sulfate oil suspension and preparation method thereof 成都乾坤动物药业股份有限公司 2020-01-03 CN disclosed
CN-106265506-B Amoxicillin colistin sulfate oil suspension and preparation method thereof 成都乾坤动物药业股份有限公司 2019-12-06 CN disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 US disclosed
EP-1973546-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Merck & Co., Inc. (US) 2008-10-01 EP disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
CN-100361653-C Tiopronin soft capsule HUAYUAN MEDICINE SCIENCE AND T (CN) 2008-01-16 CN disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
EP-0094085-B1 ETHER COMPOUNDS, THEIR PRODUCTION AND AN INSECTICIDAL AND/OR ACARICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-02 EP disclosed
US-4562213-A Certain phenoxy-benzyloxy ether derivatives and an insecticidal and/or acaricidal composition containing the same and methods of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 US disclosed
EP-0094085-A1 Ether compounds, their production and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-16 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-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP CA1 4333/4885CA2 4477/4885ALDH1A1 1674/4885

“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.