SCHEMBL15604223

SCHEMBL15604223

CCc1ccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.60
▸ CTNNB1 P35222 1/20 0.60
▸ HTR2A P28223 1/20 0.59
▸ GAA P10253 2/20 0.55
▸ MGLL Q99685 2/20 0.54
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
Alcohol SCHEMBL20595561 0.88 BCL9 (0.66) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL26374 0.86 GAA (0.65) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL4744348 0.85 HTR2A (0.57) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL12201077 0.84 HTR2A (0.64) BCL9CTNNB1HTR2AGAAMGLL
Hydrochloric Acid SCHEMBL7895043 0.84 GAA (0.62) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL47952 0.84 RAB9A (0.56) ALDH1A1LMNAKMT2ASMN1; SMN2NPC1
Ethylene Glycol SCHEMBL5476146 0.83 BCL9 (0.58) BCL9CTNNB1HTR2AGAAMGLL
Acetic Acid SCHEMBL28965272 0.83 GAA (0.62) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL4416673 0.83 HSPB1 (0.59) BCL9CTNNB1MAPTALDH1A1LMNA
Bicarbonate SCHEMBL31202990 0.83 MAPT (0.55) BCL9CTNNB1GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956293-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
US-20170128580-A1 TARGETED THERAPEUTICS TARVEDA THERAPEUTICS, INC. 2017-05-11 — — US disclosed
US-9597343-B2 Targeted therapeutics SYNTA PHARMACEUTICALS CORP. (US) 2017-03-21 — — US disclosed
US-20170056511-A1 TARGETED THERAPEUTICS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2017-03-02 — — US disclosed
US-20170056510-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2017-03-02 — — US disclosed
US-20170049899-A1 TARGETED THERAPEUTICS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2017-02-23 — — US disclosed
US-20150139905-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2015-05-21 — — US disclosed
US-20140079636-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. 2014-03-20 — — 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 (6 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-20170128580-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 BCL9 1131/4885CTNNB1 3817/4885HTR2A 3907/4885
US-20150139905-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 BCL9 1131/4885CTNNB1 3817/4885HTR2A 3907/4885
US-20170049899-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 BCL9 1131/4885CTNNB1 3817/4885HTR2A 3907/4885
US-20170056511-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 BCL9 1131/4885CTNNB1 3817/4885HTR2A 3907/4885
US-20170056510-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 BCL9 1131/4885CTNNB1 3817/4885HTR2A 3907/4885
US-20140079636-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 BCL9 1129/4885CTNNB1 3804/4885HTR2A 3910/4885

“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.

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