SCHEMBL6733562

SCHEMBL6733562

COc1ccc(-c2ccc(-c3ccc(OC)cc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.79
CA2 P00918 2/20 0.79
CA7 P43166 2/20 0.79
CA9 Q16790 2/20 0.79
CA12 O43570 1/20 0.79
CA14 Q9ULX7 1/20 0.79
ESR2 Q92731 1/20 0.74
MAPK1 P28482 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
TP53 P04637 2/20 0.64
CASP3 P42574 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
APP P05067 1/20 0.62
ACHE P22303 1/20 0.61
MAOB P27338 2/20 0.58
ABL1 P00519 1/20 0.58

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
SCHEMBL197522 1.00 CA1 (0.79) CA1CA2CA7CA9CA12
SCHEMBL9151672 1.00 CA1 (0.79) CA1CA2CA7CA9CA12
SCHEMBL13038584 0.91 LTA4H (0.67) CA1CA2CA7CA9CA12
SCHEMBL920933 0.91 ABL1 (0.71) CA1CA2CA7CA9CA12
SCHEMBL3743494 0.91 ABL1 (0.71) CA1CA2CA7CA9CA12
SCHEMBL7610770 0.91 LTA4H (0.67) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.89 CA1 (1.00) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.89 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL12714843 0.88 ACHE (0.83) CA1CA2CA7CA9CA12
SCHEMBL17283658 0.88 CA4 (0.68) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-05-18 US disclosed
US-9761804-B2 Oligomeric organic light emitting diode (OLED) materials containing multiple crosslinking functions LOMOX LIMITED (GB) 2017-09-12 US disclosed
US-9761804-B2 Oligomeric organic light emitting diode (OLED) materials containing multiple crosslinking functions LOMOX LIMITED (GB) 2017-09-12 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-7947406-B2 Polymer electrolyte, membrane/electrode assembly, and fuel cell FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-7947406-B2 Polymer electrolyte, membrane/electrode assembly, and fuel cell FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-20070231652-A1 Polymer Electrolyte, Membrane/Electrode Assembly, and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed
US-20070231652-A1 Polymer Electrolyte, Membrane/Electrode Assembly, and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed
EP-0783486-B1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS DU PONT PHARM CO (US) 1999-10-13 EP disclosed
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US disclosed
EP-0783486-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-16 EP disclosed
US-5593994-A ANTIINFLAMMATORY AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 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 (3 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-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group DDC, PAH, ATIC CA1 2460/4885CA2 2141/4885CA7 941/4885
US-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 CA1 3361/4885CA2 4614/4885CA7 3728/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 CA1 3401/4885CA2 4609/4885CA7 3644/4885

“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.