SCHEMBL2230488

SCHEMBL2230488

COc1cc(OC)c2oc3c(OC)c(OC)c(OC)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41

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
SCHEMBL7230100 0.77 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL686849 0.72 CYP1A2 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25785209 0.71 CA12 (0.39) CA12CA1CA7CA9KDM4E
SCHEMBL7231294 0.69 MAOA (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15918251 0.68 MAOA (0.66) KDM4EALDH1A1HPGDABCB1MAOA
SCHEMBL4096663 0.68 MAOA (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14721619 0.67 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29643349 0.67 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Formaldehyde SCHEMBL28179692 0.66 CYP1A2 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14153181 0.66 MCL1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 US disclosed
US-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-12-20 US disclosed
EP-3386494-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-10-17 EP disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
US-20160101072-A1 Therapeutic uses of enzyme inhibitors PROXIMAGEN LIMITED (GB) 2016-04-14 US disclosed
WO-2015189534-A1 VAP-1 INHIBITORS FOR TREATING MUSCULAR DYSTROPHY PROXIMAGEN LIMITED (GB) 2015-12-17 WO disclosed
WO-2014199171-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS PROXIMAGEN LIMITED (GB) 2014-12-18 WO disclosed
EP-2357252-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT AND DIAGNOSIS OF HAEMORRHAGIC CONVERSION Universitat Autònoma De Barcelona (ES) 2011-08-17 EP disclosed
CN-100486971-C Compound 2,3,4,6,8-pentamethoxyl-dibenzofuran and its use BEIJING INST OF TECHNOLOGY GEN (CN) 2009-05-13 CN disclosed
CN-100486971-C Compound 2,3,4,6,8-pentamethoxyl-dibenzofuran and its use BEIJING INST OF TECHNOLOGY GEN (CN) 2009-05-13 CN disclosed
CN-1931851-A Compound 2,3,4,6,8-pentamethoxyl-dibenzofuran and its use BEIJING SCIENCE & ENG (CN) 2007-03-21 CN disclosed
CN-1931851-A Compound 2,3,4,6,8-pentamethoxyl-dibenzofuran and its use BEIJING SCIENCE & ENG (CN) 2007-03-21 CN 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 (4 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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 TUBB4A 860/4885TUBB 500/4885TUBA3C 732/4885
US-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 TUBB4A 860/4885TUBB 500/4885TUBA3C 732/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 TUBB4A 1831/4885TUBB 847/4885TUBA3C 1371/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 TUBB4A 1740/4885TUBB 755/4885TUBA3C 899/4885

“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.