SCHEMBL3202953

SCHEMBL3202953

CCOc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 6/20 0.53
GABRD O14764 6/20 0.53
GABRA1 P14867 6/20 0.53
GABRB1 P18505 6/20 0.53
GABRG2 P18507 6/20 0.53
GABRB3 P28472 6/20 0.53
GABRA5 P31644 6/20 0.53
GABRA3 P34903 6/20 0.53
GABRA2 P47869 6/20 0.53
GABRB2 P47870 6/20 0.53
GABRA4 P48169 6/20 0.53
GABRE P78334 6/20 0.53
GABRA6 Q16445 6/20 0.53
GABRG1 Q8N1C3 6/20 0.53
GABRG3 Q99928 6/20 0.53
GABRQ Q9UN88 6/20 0.53
KDM4E B2RXH2 6/20 0.51
KIF11 P52732 3/20 0.45
CHUK O15111 1/20 0.45
ALDH1A1 P00352 6/20 0.44

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
SCHEMBL28703144 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1193506 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28398234 0.82 KDM4E (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3460911 0.82 KDM4E (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3462132 0.81 HTR2A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3209389 0.80 KDM4E (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3462196 0.80 HTR1B (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3189459 0.80 MAOA (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1120978 0.77 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3461086 0.77 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2

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 21 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
EP-1530572-B1 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS STANFORD RES INST INT (US) 2008-10-15 EP 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 GABRP 1611/4885GABRD 1413/4885GABRA1 1815/4885
US-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, CCND3, FOXM1 GABRP 4704/4885GABRD 4742/4885GABRA1 4330/4885
US-20120184590-A1 FORMULATIONS OF INDOLE-3-CARBINOL DERIVED ANTITUMOR AGENTS WITH INCREASED ORAL BIOAVAILABILITY SCD, SCD5, IDO1 GABRP 2699/4885GABRD 2431/4885GABRA1 3176/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 GABRP 1611/4885GABRD 1413/4885GABRA1 1815/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 GABRP 1611/4885GABRD 1413/4885GABRA1 1815/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 GABRP 4358/4885GABRD 4579/4885GABRA1 4066/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 GABRP 4358/4885GABRD 4579/4885GABRA1 4066/4885

“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.