SCHEMBL2007950

SCHEMBL2007950

O=C(O)c1cc2c(OCCCc3ccccc3)cccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.74
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
MCL1 Q07820 10/20 0.54
BCL2 P10415 2/20 0.54
ALB P02768 1/20 0.54
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP1A2 P05177 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
AHR P35869 1/20 0.47

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
SCHEMBL2005930 0.96 SRD5A2 (0.73) SRD5A2NPC1POLBRAB9AMCL1
SCHEMBL2007875 0.94 SRD5A2 (0.76) SRD5A2NPC1POLBRAB9AMCL1
SCHEMBL914722 0.85 SRD5A2 (1.00) SRD5A2NPC1POLBRAB9AKDM4E
SCHEMBL30397127 0.85 SRD5A2 (1.00) SRD5A2NPC1POLBRAB9AKDM4E
SCHEMBL12596312 0.84 SRD5A2 (0.66) SRD5A2NPC1POLBRAB9AMCL1
SCHEMBL24020490 0.83 SRD5A2 (0.67) SRD5A2NPC1POLBRAB9AMCL1
SCHEMBL30310677 0.83 SRD5A2 (0.67) SRD5A2NPC1POLBRAB9AMCL1
SCHEMBL2317107 0.82 SRD5A2 (0.60) SRD5A2NPC1POLBRAB9AALB
SCHEMBL2320125 0.81 SRD5A2 (0.62) SRD5A2NPC1POLBRAB9AKDM4E
SCHEMBL916171 0.81 SRD5A2 (0.62) SRD5A2NPC1POLBRAB9AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 SRD5A2 1424/4885NPC1 2681/4885POLB 4404/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT SRD5A2 1420/4885NPC1 2525/4885POLB 3505/4885

“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.