SCHEMBL919577

SCHEMBL919577

COc1cc(OC)cc(OC(C)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.52
CYP3A4 P08684 3/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TTR P02766 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
BACE1 P56817 3/20 0.50
F2 P00734 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
CYP19A1 P11511 1/20 0.47
TNFSF11 O14788 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
ALOX5 P09917 1/20 0.45
USP2 O75604 1/20 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
SCHEMBL14707645 0.91 LMNA (0.55) ALDH1A1KMT2ALMNACYP3A4MEN1
SCHEMBL6194628 0.91 CYP3A4 (0.55) ALDH1A1KMT2ALMNACYP3A4MEN1
SCHEMBL16954598 0.89 KMT2A (0.48) ALDH1A1KMT2ALMNACYP3A4MEN1
SCHEMBL10765006 0.89 KMT2A (0.44) ALDH1A1KMT2ALMNACYP3A4MEN1
SCHEMBL7962269 0.89 ABCB11 (0.45) ALDH1A1KMT2ALMNACYP3A4MEN1
SCHEMBL16960587 0.89 KMT2A (0.44) ALDH1A1KMT2ALMNACYP3A4MEN1
SCHEMBL2010436 0.89 LMNA (0.59) ALDH1A1KMT2ALMNACYP3A4MEN1
SCHEMBL13725392 0.88 RXRA (0.53) ALDH1A1KMT2ALMNACYP3A4MEN1
SCHEMBL16533898 0.86 CA1 (0.50) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL16960424 0.86 TTR (0.54) ALDH1A1KMT2ALMNACYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
JP-10306009-A None JP disclosed
JP-10306011-A None JP disclosed
CN-116671398-A Seedling breeding method for strong medicinal material cortex schizophragmatis integrifolii radicis 广西白云山盈康药业有限公司 2023-09-01 CN disclosed
US-20230266683-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-08-24 US disclosed
US-20230266684-A1 IMAGE FORMING UNIT AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-08-24 US disclosed
CN-114630832-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-06-14 CN disclosed
EP-3411036-B1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE INC (TW) 2021-12-29 EP disclosed
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications PHARMAENGINE, INC. (TW) 2021-09-14 US disclosed
US-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE, INC. (TW) 2021-05-13 US disclosed
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-09-18 US disclosed
EP-1315694-A2 INHIBITORS OF ALPHA 4 MEDIATED CELL ADHESION Tanabe Seiyaku Co., Ltd. (JP) 2003-06-04 EP disclosed
EP-1300403-A1 Process for the manufacture of hypoxyxylerone derivatives Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
WO-2002018320-A2 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2002-03-07 WO disclosed
JP-H10306011-A UNUNIFORMITY IMPROVING COSMETIC POLA CHEM IND INC 1998-11-17 JP disclosed
JP-H10306009-A UNUNIFORMITY IMPROVING COSMETIC POLA CHEM IND INC 1998-11-17 JP disclosed
WO-1995011880-A1 SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-05-04 WO disclosed
US-5399455-A Electrophotographic toner composition and image fixing process FUJI XEROX CO., LTD. (JP) 1995-03-21 US disclosed
US-4749679-A Heat sensitive recording materials FUJI PHOTO FILM CO., LTD. (JP) 1988-06-07 US disclosed
US-4644376-A Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1987-02-17 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 (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-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS CHEK1, CHEK2, BUB1 ALDH1A1 1679/4885KMT2A 1459/4885LMNA 1865/4885
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion ITGB4, VCAM1, EPCAM ALDH1A1 158/4885KMT2A 1616/4885LMNA 2495/4885
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications CHEK1, CHEK2, BUB1 ALDH1A1 1679/4885KMT2A 1459/4885LMNA 1865/4885

“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.