SCHEMBL3633730

SCHEMBL3633730

COc1cc(OC(C)C)ccc1C=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
ERN1 O75460 1/20 0.57
CYP1A2 P05177 7/20 0.50
CYP1A1 P04798 6/20 0.50
CYP1B1 Q16678 6/20 0.50
ALDH1A3 P47895 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
NFE2L2 Q16236 2/20 0.45
TNFRSF1A P19438 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 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
SCHEMBL12540995 0.89 ALDH1A1 (0.55) ALDH1A1ERN1CYP1A2ALDH1A3MAPT
SCHEMBL18478003 0.87 ALDH1A1 (0.67) ALDH1A1ERN1CYP1A2CYP1A1CYP1B1
SCHEMBL899151 0.86 ALDH1A1 (0.71) ALDH1A1ERN1CYP1A2CYP1A1CYP1B1
SCHEMBL29136540 0.84 ALDH1A1 (0.73) ALDH1A1ERN1CYP1A2CYP1A1CYP1B1
SCHEMBL96291 0.83 ALDH1A1 (1.00) ALDH1A1ERN1CYP1A2CYP1A1CYP1B1
SCHEMBL7179028 0.83 ALDH1A1 (0.61) ALDH1A1ERN1CYP1A2CYP1A1CYP1B1
SCHEMBL29136541 0.83 ALDH1A1 (0.71) ALDH1A1ERN1CYP1A2CYP1A1CYP1B1
SCHEMBL3292760 0.83 ALDH1A1 (0.71) ALDH1A1ERN1CYP1A2CYP1A1CYP1B1
SCHEMBL8356166 0.82 ALDH1A1 (0.75) ALDH1A1ERN1CYP1A2CYP1A1CYP1B1
SCHEMBL24530453 0.82 ALDH1A3 (0.57) ALDH1A1ERN1ALDH1A3KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339544-A1 Epidermal growth factor receptor inhibitors JOINT STOCK COMPANY "BIOCAD" (RU) 2020-10-29 US disclosed
EP-3693365-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS Joint Stock Company "Biocad" (RU) 2020-08-12 EP disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
WO-2013068592-A1 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2013-05-16 WO disclosed
WO-2013068592-A1 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2013-05-16 WO disclosed
US-7786259-B2 Attachment and elaboration strategies for inverse peptide synthesis THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2010-08-31 US disclosed
US-7786259-B2 Attachment and elaboration strategies for inverse peptide synthesis THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2010-08-31 US disclosed
CN-101687875-A Pyrrolopyrimidin-7-one derivatives and their use as pharmaceuticals ASTRAZENECA AB 2010-03-31 CN disclosed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
US-20080039612-A1 ATTACHMENT AND ELABORATION STRATEGIES FOR INVERSE PEPTIDE SYNTHESIS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2008-02-14 US disclosed
US-20080039612-A1 ATTACHMENT AND ELABORATION STRATEGIES FOR INVERSE PEPTIDE SYNTHESIS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2008-02-14 US disclosed
US-7244815-B2 Attachment and elaboration strategies for inverse peptide synthesis THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-07-17 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 (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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 ALDH1A1 245/4885ERN1 2700/4885CYP1A2 258/4885
US-20200339544-A1 Epidermal growth factor receptor inhibitors EGFR, ERBB2, ERBB3 ALDH1A1 3189/4885ERN1 1072/4885CYP1A2 2918/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 ALDH1A1 675/4885ERN1 1303/4885CYP1A2 1046/4885
US-20080039612-A1 ATTACHMENT AND ELABORATION STRATEGIES FOR INVERSE PEPTIDE SYNTHESIS SCTR, NPPA, PTMS ALDH1A1 3582/4885ERN1 2278/4885CYP1A2 4807/4885

“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.