SCHEMBL3199599

SCHEMBL3199599

CCOC(=O)Oc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
PRNP P04156 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 1/20 0.43
PAK4 O96013 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL1120941 0.84 KDM4E (0.61) PPARGNPSR1MEN1KMT2AJAK2
SCHEMBL1120978 0.83 KDM4E (0.52) GABRA1GABRB1GABRA3GABRB2MEN1
SCHEMBL3208207 0.82 GABRA1 (0.53) GABRA1GABRB1GABRA3GABRB2PRNP
SCHEMBL3207259 0.81 KDM4E (0.45) MEN1KMT2AJAK2PIM1MAPK8
SCHEMBL2327495 0.79 GABRA1 (0.50) GABRA1GABRB1GABRA3GABRB2PRNP
SCHEMBL9573828 0.79 GABRA1 (0.47) GABRA1GABRB1GABRA3GABRB2PRNP
SCHEMBL9573839 0.78 GABRA1 (0.49) GABRA1GABRB1GABRA3GABRB2PRNP
SCHEMBL1920490 0.74 AR (0.49) GABRA1GABRB1GABRA3GABRB2MEN1
SCHEMBL3245727 0.73 GABRA1 (0.50) GABRA1GABRB1GABRA3GABRB2PRNP
SCHEMBL18886841 0.73 GABRA1 (0.46) GABRA1GABRB1GABRA3GABRB2JAK2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP claimed
US-10646471-B2 Lipoxygenase inhibitors SRI INTERNATIONAL (US) 2020-05-12 US disclosed
EP-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP disclosed
US-20170095450-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL 2017-04-06 US disclosed
EP-2694057-A1 LIPOXYGENASE INHIBITORS SRI International (US) 2014-02-12 EP disclosed
US-20130345214-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL, INC. (US) 2013-12-26 US disclosed
WO-2012135133-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2012-10-04 WO disclosed
US-20120184590-A1 FORMULATIONS OF INDOLE-3-CARBINOL DERIVED ANTITUMOR AGENTS WITH INCREASED ORAL BIOAVAILABILITY UNIVERSITY OF KANSAS (US) 2012-07-19 US disclosed
WO-2010118339-A2 FORMULATIONS OF INDOLE-3-CARBINOL DERIVED ANTITUMOR AGENTS WITH INCREASED ORAL BIOAVAILABILITY UNIVERSITY OF KANSAS (US) 2010-10-14 WO disclosed
US-7666897-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2010-02-23 US disclosed
US-7429610-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2008-09-30 US disclosed
US-7429610-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2008-09-30 US disclosed
US-7078427-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-07-18 US disclosed
US-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-06-15 US disclosed
EP-1623985-A2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventative agents Sri International (US) 2006-02-08 EP disclosed
EP-1530572-A2 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS Sri International (US) 2005-05-18 EP disclosed
US-6800655-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-10-05 US disclosed
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents JONG LING (US) 2004-08-12 US disclosed
WO-2004018475-A2 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS SRI INTERNATIONAL (US) 2004-03-04 WO disclosed
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-03-04 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 (7 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-20170095450-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 GABRA1 1815/4885GABRB1 1171/4885GABRA3 1707/4885
US-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, CCND3, FOXM1 GABRA1 4330/4885GABRB1 4027/4885GABRA3 4101/4885
US-20120184590-A1 FORMULATIONS OF INDOLE-3-CARBINOL DERIVED ANTITUMOR AGENTS WITH INCREASED ORAL BIOAVAILABILITY SCD, SCD5, IDO1 GABRA1 3176/4885GABRB1 2764/4885GABRA3 1918/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 GABRA1 1815/4885GABRB1 1171/4885GABRA3 1707/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 GABRA1 1815/4885GABRB1 1171/4885GABRA3 1707/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 GABRA1 4066/4885GABRB1 3636/4885GABRA3 4091/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 GABRA1 4066/4885GABRB1 3636/4885GABRA3 4091/4885

“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.