SCHEMBL9959635

SCHEMBL9959635

COc1ccc2[nH]c(C)cc2c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
CYP19A1 P11511 1/20 0.45
NQO2 P16083 1/20 0.45
AXL P30530 1/20 0.44
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PTBP1 P26599 1/20 0.42
KDM4E B2RXH2 5/20 0.41
BLM P54132 1/20 0.41
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 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
SCHEMBL16065331 0.83 ALDH1A1 (0.49) ALDH1A1HPGDNQO2AXLMAPT
SCHEMBL28807066 0.81 MEN1 (0.42) ALDH1A1HPGDCYP19A1NQO2MAPT
SCHEMBL16818973 0.80 ALDH1A1 (0.46) ALDH1A1HPGDNQO2AXLMAPT
SCHEMBL9315401 0.80 ALDH1A1 (0.46) ALDH1A1HPGDAXLMAPTMEN1
SCHEMBL296452 0.80 KDR (0.53) ALDH1A1HPGDAXLKDR
SCHEMBL22407969 0.80 ALDH1A1 (0.46) ALDH1A1HPGDNQO2AXLMAPT
SCHEMBL9314504 0.79 CTSV (0.48) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL15704593 0.76 ALDH1A1 (0.43) ALDH1A1HPGDAXLMAPTMEN1
SCHEMBL9951954 0.76 MTNR1A (0.43) ALDH1A1HPGDCYP19A1NQO2MAPT
SCHEMBL29445933 0.76 MEN1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
CN-103502237-B Faah inhibitor IRONWOOD PHARMACEUTICALS, INC. (US) 2016-01-20 CN disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 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-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 ALDH1A1 314/4885HPGD 276/4885CYP19A1 909/4885

“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.