SCHEMBL4622020

SCHEMBL4622020

[C]#Cc1ccc(C(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HSD17B1 P14061 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACACB O00763 1/20 0.41

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
SCHEMBL50646 0.79 MAPT (0.68) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL241894 0.78 TSHR (0.60) ALDH1A1SMN1; SMN2
SCHEMBL97267 0.78 MAPT (0.50) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL737226 0.76 MAPT (0.48) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL27722721 0.76 MAPT (0.48) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL163209 0.76 ALDH1A1 (0.72) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL10411946 0.76 ACACB (0.49) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL28677170 0.76 CA1 (0.57) MAPTHPGDRAB9AL3MBTL1KMT2A
SCHEMBL17313782 0.76 HDAC8 (0.57) HPGDSMN1; SMN2ACACB
SCHEMBL10001336 0.74 ACACB (0.47) MAPTHPGDLMNARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106748667-B Derivative of natural product selaginpulvin, preparation method and application thereof 中山大学 2020-05-08 CN claimed
CN-101248056-A Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-08-20 CN claimed
CN-101248066-A Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-08-20 CN claimed
EP-1902049-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
US-20070010514-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 US claimed
WO-2006136461-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
CN-106748667-B Derivative of natural product selaginpulvin, preparation method and application thereof 中山大学 2020-05-08 CN disclosed
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
CN-101248056-A Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-08-20 CN disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP disclosed
EP-1038880-B1 Androstanes and pregnanes for allosteric modulation of GABA receptor EURO CELTIQUE SA (LU) 2007-10-17 EP disclosed
US-6780853-B1 FOR MODULATING BRAIN EXCITABILITY EURO-CELTIQUE S.A. (LU) 2004-08-24 US disclosed
EP-1288220-A2 Neuroactive 3.alpha.-hydroxy-steroids of the androstane and pregnane series Purdue Pharma Ltd. (US) 2003-03-05 EP disclosed
WO-1998005337-A1 USE OF GABA AND NMDA RECEPTOR LIGANDS FOR THE TREATMENT OF MIGRAINE HEADACHE COCENSYS, INC. (US) 1998-02-12 WO disclosed
EP-0752860-A1 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR COCENSYS, INC. (US) 1997-01-15 EP disclosed
WO-1996040043-A2 NEUROACTIVE STEROIDS OF THE ANDROSTANE AND PREGNANE SERIES COCENSYS, INC. (US) 1996-12-19 WO disclosed
EP-0701444-A1 METHODS AND COMPOSITIONS FOR INDUCING SLEEP COCENSYS, INC. (US) 1996-03-20 EP disclosed
WO-1995021617-A1 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR COCENSYS, INC. (US) 1995-08-17 WO disclosed
WO-1994027608-A9 METHODS AND COMPOSITIONS FOR INDUCING SLEEP 1995-01-12 WO disclosed
WO-1994027608-A1 METHODS AND COMPOSITIONS FOR INDUCING SLEEP COCENSYS, INC. (US) 1994-12-08 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 (1 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-20070010514-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, CYP19A1 MAPT 4874/4885HPGD 84/4885LMNA 1568/4885

“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.