SCHEMBL2178292

SCHEMBL2178292

COc1ccc(OB(Oc2ccc(OC)c(OC)c2)Oc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
ACHE P22303 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47

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
SCHEMBL7922110 0.84 CA12 (0.71) CA2CA12CA1CA7CA9
SCHEMBL2178296 0.83 CA2 (0.61) CA2CA12CA1CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL29350371 0.80 CA12 (1.00) CA2CA12CA1CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27777905 0.80 CA12 (1.00) CA2CA12CA1CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL481491 0.80 CA12 (1.00) CA2CA12CA1CA7CA9
SCHEMBL126301 0.78 CA2 (0.76) CA2CA12CA1CA7CA9
SCHEMBL28170407 0.78 CA2 (0.76) CA2CA12CA1CA7CA9
SCHEMBL8946309 0.74 CA2 (0.70) CA2CA12CA1CA7CA9
SCHEMBL2096158 0.74 CA2 (0.70) CA2CA12CA1CA7CA9
SCHEMBL7167870 0.74 CYP2A6 (0.60) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed
US-5607803-A Decolorizable toner and a decolorizable toner production process SHOWA DENKO K.K. (JP) 1997-03-04 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 (1 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B CA2 125/4885CA12 2454/4885CA1 2005/4885

“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.