SCHEMBL440463

SCHEMBL440463

Cc1nccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 11/20 0.50
RPS6KA3 P51812 1/20 0.47
SENP1 Q9P0U3 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR8 Q9NR97 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39

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
SCHEMBL6516685 0.82 CHEK1 (0.46) RPS6KA3MEN1KMT2AGAA
Bromide SCHEMBL28797051 0.80 CHEK1 (0.45) RPS6KA3MEN1KMT2AGAA
SCHEMBL12988895 0.76 MKNK1 (0.62) USP7RPS6KA3MEN1KMT2AGAA
SCHEMBL15667459 0.74 SENP1 (0.54) USP7SENP1MEN1KMT2AESR1
SCHEMBL28958011 0.73 ESR1 (0.56) USP7RPS6KA3SENP1MEN1KMT2A
SCHEMBL7459372 0.72 CHEK1 (0.45) RPS6KA3MEN1KMT2AESR2
SCHEMBL28313349 0.72 PIK3CA (0.51) GAA
SCHEMBL247903 0.71 SENP1 (0.50) USP7SENP1MGAMGAASI
SCHEMBL68749 0.69 SENP1 (0.48) USP7SENP1MEN1KMT2AMGAM
SCHEMBL9541037 0.69 SENP1 (0.54) USP7SENP1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008027442-A2 ABUSE DETERRENT ORAL PHARMACEUTICAL FORMULATIONS OF OPIOID AGONISTS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-03-06 WO claimed
WO-2008021394-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-02-21 WO claimed
EP-3045043-A1 EXTENDED RELEASE ORAL PHARMACEUTICAL COMPOSITIONS OF 3-HYDROXY-N-METHYLMORPHINAN AND METHOD OF USE Relmada Therapeutics, Inc. (US) 2016-07-20 EP disclosed
EP-2448406-B1 EXTENDED RELEASE ORAL PHARMACEUTICAL COMPOSITIONS OF 3-HYDROXY-N-METHYLMORPHINAN AND METHOD OF USE RELMADA THERAPEUTICS INC (US) 2016-04-20 EP disclosed
US-9125833-B2 Multimodal abuse resistant and extended release opioid formulations RELMADA THERAPEUTICS, INC. (US) 2015-09-08 US disclosed
US-20120178771-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use RELMADA THERAPEUTICS, INC. 2012-07-12 US disclosed
EP-2448406-A1 EXTENDED RELEASE ORAL PHARMACEUTICAL COMPOSITIONS OF 3-HYDROXY-N-METHYLMORPHINAN AND METHOD OF USE Relmada Therapeutics, Inc. (US) 2012-05-09 EP disclosed
US-20120065221-A1 Extended Release Oral Pharmaceutical Compositions of 3-Hydroxy-N-Methylmorphinan and Method of Use THERAQUEST BIOSCIENCES, INC. (PA) 2012-03-15 US disclosed
EP-2405754-A1 MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE Theraquest Biosciences, Inc. (US) 2012-01-18 EP disclosed
US-20110097395-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use RELMADA THERAPEUTICS, INC. 2011-04-28 US disclosed
EP-2262367-A2 ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE Theraquest Biosciences, Inc. (US) 2010-12-22 EP disclosed
US-20100249045-A1 Multimodal Abuse Resistant and Extended Release Opioid Formulations THERAQUEST BIOSCIENCES, INC. (US) 2010-09-30 US disclosed
WO-2010104494-A1 MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE THERAQUEST BIOSCIENCES, INC. (US) 2010-09-16 WO disclosed
WO-2010099508-A1 EXTENDED RELEASE ORAL PHARMACEUTICAL COMPOSITIONS OF 3-HYDROXY-N-METHYLMORPHINAN AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2010-09-02 WO disclosed
WO-2009114118-A2 ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2009-09-17 WO disclosed
WO-2008134071-A1 MULTIMODAL ABUSE RESISTANT EXTENDED RELEASE FORMULATIONS THERAQUEST BIOSCIENCES, INC. (US) 2008-11-06 WO disclosed
WO-2008027442-A2 ABUSE DETERRENT ORAL PHARMACEUTICAL FORMULATIONS OF OPIOID AGONISTS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-03-06 WO disclosed
WO-2008024408-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS FOR APPLICATION TO THE SKIN AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2008-02-28 WO disclosed
WO-2008024490-A2 ORAL PHARMACEUTICAL FORMULATIONS OF ABUSE DETERRENT CANNABINOIDS AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2008-02-28 WO disclosed
WO-2008021394-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-02-21 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-20120178771-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use OPRK1, OPRM1, OPRD1 USP7 1906/4885RPS6KA3 4147/4885SENP1 4046/4885
US-20110097395-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use CYP2B6, CYP3A5, OPRM1 USP7 3407/4885RPS6KA3 4095/4885SENP1 4763/4885

“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.