SCHEMBL3737199

SCHEMBL3737199

CC(=O)C1(c2ccccc2)CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.70
HDAC4 P56524 2/20 0.61
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
P2RX7 Q99572 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
APOBEC3A P31941 2/20 0.50
APOBEC3G Q9HC16 2/20 0.50
HSD11B1 P28845 2/20 0.50
PRCP P42785 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 1/20 0.49
OPRD1 P41143 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL1838291 0.98 AKR1C1 (0.68) AKR1C1HDAC4MEN1KMT2AP2RX7
SCHEMBL12928712 0.96 AKR1C1 (0.64) AKR1C1HDAC4MEN1KMT2AP2RX7
SCHEMBL890180 0.91 AKR1C1 (0.57) AKR1C1HDAC4MEN1KMT2AP2RX7
SCHEMBL3107522 0.83 AKR1C1 (0.76) AKR1C1HDAC4MEN1KMT2AP2RX7
SCHEMBL65167 0.83 AKR1C1 (1.00) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL24780844 0.82 ALDH1A1 (0.62) AKR1C1SMN1; SMN2LMNANPSR1L3MBTL1
SCHEMBL1447883 0.82 MEN1 (0.55) AKR1C1HDAC4MEN1KMT2AP2RX7
SCHEMBL240200 0.82 AKR1C1 (0.48) AKR1C1HDAC4MEN1KMT2AP2RX7
SCHEMBL38041 0.82 OPRM1 (0.62) AKR1C1HDAC4HSD11B1OPRD1CA12
SCHEMBL2443314 0.82 MAPT (0.49) AKR1C1HDAC4MEN1KMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
WO-2019179515-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2019-09-26 WO disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
EP-2395002-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. Vertex Pharmaceuticals Incorporated (US) 2011-12-14 EP disclosed
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 US disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 EP disclosed
EP-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 EP disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
EP-1214292-B1 TYROSINE DERIVATIVES GENENTECH INC (US) 2007-06-13 EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 US disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 WO 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 (6 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 AKR1C1 3019/4885HDAC4 565/4885MEN1 3425/4885
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP AKR1C1 2196/4885HDAC4 3243/4885MEN1 4804/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B AKR1C1 2692/4885HDAC4 1217/4885MEN1 3170/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 AKR1C1 57/4885HDAC4 691/4885MEN1 1126/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP AKR1C1 2196/4885HDAC4 3243/4885MEN1 4804/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP AKR1C1 2196/4885HDAC4 3243/4885MEN1 4804/4885

“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.