SCHEMBL3839733

SCHEMBL3839733

CCCCCc1c(C(=O)O)oc2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.53
BCL2 P10415 1/20 0.53
BCL2L1 Q07817 1/20 0.53
BAD Q92934 1/20 0.53
TSHR P16473 1/20 0.46
APEX1 P27695 1/20 0.46
CAPN1 P07384 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLK1 P53350 1/20 0.44
TTR P02766 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
SCHEMBL6446595 0.96 MCL1 (0.54) MCL1BCL2BCL2L1BADTSHR
SCHEMBL11416328 0.90 MCL1 (0.52) MCL1BCL2BCL2L1BADTSHR
SCHEMBL4672754 0.86 MCL1 (0.65) MCL1BCL2BCL2L1BADTSHR
SCHEMBL5273001 0.84 CAPN1 (0.56) MCL1BCL2BCL2L1BADTSHR
SCHEMBL18227970 0.81 KDM4E (0.47)
SCHEMBL19861154 0.81 MAPT (0.54) MCL1BCL2BCL2L1BADTSHR
Acetic Acid SCHEMBL27918017 0.81 KDM4E (0.51) TSHRMAPK1MEN1KMT2A
SCHEMBL1860716 0.81 MAOB (0.43)
SCHEMBL1864115 0.80 ALDH1A1 (0.60) TSHRMAPK1MEN1KMT2A
SCHEMBL17997088 0.80 MAPT (0.52) MCL1BCL2BCL2L1BADTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382224-B2 7-acyloxychromen-4-one derivatives and the use thereof as self-tanning substances MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-9044409-B2 Use of chromen-4-one derivatives MERCK PATENT GMBH (DE) 2015-06-02 US disclosed
US-20130287716-A1 7-ACYLOXYCHROMEN-4-ONE DERIVATIVES AND THE USE THEREOF AS SELF-TANNING SUBSTANCES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20090220438-A1 CHROMEN-4-ONE DERIVATIVES AS SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2009-09-03 US disclosed
US-20090209637-A1 USE OF CHROMEN-4-ONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-08-20 US disclosed
EP-2056782-A1 USE OF CHROMEN-4-ONE DERIVATIVES Merck Patent GmbH (DE) 2009-05-13 EP disclosed
WO-2008025368-A1 USE OF CHROMEN-4-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-03-06 WO disclosed
US-20080027133-A1 USE OF CHROMEN-4-ONE DERIVATIVES CAROLA CHRISTOPHE 2008-01-31 US disclosed
US-20070191305-A1 Chromone complexes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-08-16 US disclosed
CN-1938289-A Chromone complexes MERCK PATENT GMBH (DE) 2007-03-28 CN disclosed
US-20060292093-A1 Chromen-4-one derivatives MERCK PATENT GMBH (DE) 2006-12-28 US disclosed
CN-1835940-A Chromen-4-one derivatives MERCK PATENT GMBH (DE) 2006-09-20 CN disclosed
US-20050043398-A1 Use of chromen-4-one derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2005-02-24 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 (7 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-20090209637-A1 USE OF CHROMEN-4-ONE DERIVATIVES CBR1, CYP46A1, CCR8 MCL1 3888/4885BCL2 2410/4885BCL2L1 2400/4885
US-20130287716-A1 7-ACYLOXYCHROMEN-4-ONE DERIVATIVES AND THE USE THEREOF AS SELF-TANNING SUBSTANCES TYR, CYP7B1, CYP46A1 MCL1 4881/4885BCL2 4868/4885BCL2L1 4870/4885
US-20070191305-A1 Chromone complexes SCO2, CDYL, CYCS MCL1 1180/4885BCL2 2743/4885BCL2L1 3266/4885
US-20090220438-A1 CHROMEN-4-ONE DERIVATIVES AS SELF-TANNING SUBSTANCE C9, CYP8B1, TYR MCL1 3692/4885BCL2 3562/4885BCL2L1 3483/4885
US-20080027133-A1 USE OF CHROMEN-4-ONE DERIVATIVES CYP8B1, CYP7B1, CYP2R1 MCL1 2361/4885BCL2 1531/4885BCL2L1 1284/4885
US-20050043398-A1 Use of chromen-4-one derivatives CYP8B1, CYP7B1, CYP2R1 MCL1 2321/4885BCL2 1542/4885BCL2L1 1281/4885
US-20060292093-A1 Chromen-4-one derivatives TYR, XPA, CYP19A1 MCL1 3811/4885BCL2 3729/4885BCL2L1 3768/4885

“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.