SCHEMBL2102377

SCHEMBL2102377

O=C1C(=C2CCc3ccccc32)Cc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.63
MAOA P21397 3/20 0.57
ACHE P22303 1/20 0.56
BCHE P06276 1/20 0.53
SRD5A1 P18405 2/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MIF P14174 3/20 0.43
AKR1B1 P15121 1/20 0.43
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42

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
SCHEMBL732656 0.88 MAOA (0.73) CES1MAOAACHEBCHEMAOB
SCHEMBL11671192 0.81 CES1 (0.59) CES1MAOASRD5A1TDP1L3MBTL1
SCHEMBL11671185 0.81 CES1 (0.59) CES1MAOASRD5A1TDP1L3MBTL1
SCHEMBL8009481 0.81 CES1 (0.59) CES1MAOASRD5A1TDP1L3MBTL1
SCHEMBL2903577 0.80 CES1 (0.52) CES1MAOAACHEBCHESRD5A1
SCHEMBL29408351 0.79 CES1 (0.90) CES1MAOABCHETDP1L3MBTL1
SCHEMBL29437756 0.79 CES1 (0.90) CES1MAOABCHETDP1L3MBTL1
SCHEMBL44496 0.79 CES1 (0.90) CES1MAOABCHETDP1L3MBTL1
SCHEMBL13712393 0.79 CES1 (1.00) CES1MAOABCHETDP1L3MBTL1
SCHEMBL9781046 0.78 MAOA (0.59) CES1MAOAACHEBCHESRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986530-A1 INDANE COMPOUNDS AND THEIR PHARMACEUTICAL USE Venantius Limited (IE) 2000-03-22 EP claimed
WO-1998055439-A1 INDANE COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LIMITED (IE) 1998-12-10 WO claimed
EP-2221290-B1 PROCESS FOR PRODUCTION OF ALKOXYINDANONE DERIVATIVES DNP FINE CHEMICALS UTSUNOMIYA CO LTD (JP) 2015-01-14 EP disclosed
US-8163962-B2 Method for producing alkoxyindanone derivative DNP FINE CHEMICALS FUKUSHIMA CO., LTD. (JP) 2012-04-24 US disclosed
US-20100261935-A1 METHOD FOR PRODUCING ALKOXYINDANONE DERIVATIVE DNP FINE CHEMICALS FUKUSHIMA CO., LTD. (JP) 2010-10-14 US disclosed
EP-2221290-A1 PROCESS FOR PRODUCTION OF ALKOXYINDANONE DERIVATIVES DNP Fine Chemicals Fukushima Co., Ltd. (JP) 2010-08-25 EP disclosed
EP-0865419-B1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LTD (IE) 2003-08-06 EP disclosed
US-6300376-B1 FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IR) 2001-10-09 US disclosed
EP-0865419-A1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE Venantius Limited (IE) 1998-09-23 EP disclosed
WO-1997020802-A1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LIMITED (IE) 1997-06-12 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-20100261935-A1 METHOD FOR PRODUCING ALKOXYINDANONE DERIVATIVE ALKBH3, HSD17B12, ALKBH1 CES1 1116/4885MAOA 1695/4885ACHE 1620/4885

“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.