SCHEMBL2443587

SCHEMBL2443587

CCOC(=O)C(C)(C)C(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.44
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 3/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP8 P22894 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
THRB P10828 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1562023 0.85 ALDH1A1 (0.50) SOAT1CYP4F2CYP4A11ALDH1A1PKM
Hydrochloric Acid SCHEMBL5446995 0.82 ALDH1A1 (0.48) SOAT1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL27825812 0.82 HCAR2 (0.36) SOAT1ALDH1A1LMNAHSD17B10GAA
SCHEMBL18799245 0.82 CYP4F2 (0.40) SOAT1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL3844760 0.82 ALDH1A1 (0.48) SOAT1CYP4F2CYP4A11ALDH1A1PKM
Hydrochloric Acid SCHEMBL3845860 0.80 ALOX15 (0.39) SOAT1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL22773965 0.80 TDP1 (0.32) SOAT1ALDH1A1
Butane SCHEMBL11358505 0.80 ALDH1A1 (0.46) SOAT1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL13917982 0.79 ALDH1A1 (0.50) CYP4F2CYP4A11ALDH1A1PKMLMNA
SCHEMBL46634 0.79 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106047273-B Novel stabilizer and application thereof in dealcoholized RTV-1 silicone rubber composition 浙江新安化工集团股份有限公司 2020-05-12 CN disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-9673048-B2 Method of producing thin film transistor, thin film transistor, display device, image sensor, and X-ray sensor FUJIFILM CORPORATION (JP) 2017-06-06 US disclosed
US-9636330-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-02 US disclosed
US-9543143-B2 Method for producing amorphous oxide thin film and thin film transistor FUJIFILM CORPORATION (JP) 2017-01-10 US disclosed
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-20 US disclosed
US-20150175587-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF SLOAN KETTERING INST CANCER (US) 2015-06-25 US disclosed
US-20150103977-A1 METHOD OF PRODUCING THIN FILM TRANSISTOR, THIN FILM TRANSISTOR, DISPLAY DEVICE, IMAGE SENSOR, AND X-RAY SENSOR SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-16 US disclosed
US-9006246-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-14 US disclosed
WO-2004018478-A2 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-03-04 WO disclosed
US-20030232136-A1 Layer formation method, and substrate with a layer formed by the method KONICA CORPORATION (JP) 2003-12-18 US disclosed
EP-1371752-A2 Layer formation method, and substrate with a layer formed by the method KONICA CORPORATION (JP) 2003-12-17 EP disclosed
WO-2003092586-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-11-13 WO disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed
CN-1201790-A Herbicide MITSUBISHI CHEM CORP (JP) 1998-12-16 CN disclosed
US-5726128-A Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-10 US disclosed
US-5723412-A HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-03 US disclosed
EP-0707001-A1 Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-17 EP disclosed
EP-0694538-A2 2-benzyloxy-4-phenoxypyrimidine derivative, processes for producing the derivative and herbicidal composition containing the derivative KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-31 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 (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-20150175587-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF DHPS, THPO, CYP11B1 SOAT1 275/4885CYP4F2 120/4885CYP4A11 12/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 SOAT1 1402/4885CYP4F2 698/4885CYP4A11 798/4885
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 SOAT1 1432/4885CYP4F2 754/4885CYP4A11 906/4885

“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.