SCHEMBL11939188

SCHEMBL11939188

Bc1cc(O)c(OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACHE P22303 1/20 0.43
▸ TUBB1 Q9H4B7 10/20 0.42
▸ TUBB4A P04350 8/20 0.42
▸ TUBB P07437 8/20 0.42
▸ TUBA3C P0DPH7 8/20 0.42
▸ TUBA1B P68363 8/20 0.42
▸ TUBA4A P68366 8/20 0.42
▸ TUBB4B P68371 8/20 0.42
▸ TUBB3 Q13509 8/20 0.42
▸ TUBB2A Q13885 8/20 0.42
▸ TUBB8 Q3ZCM7 8/20 0.42
▸ TUBA3E Q6PEY2 8/20 0.42
▸ TUBA1A Q71U36 8/20 0.42
▸ TUBA1C Q9BQE3 8/20 0.42
▸ TUBB6 Q9BUF5 8/20 0.42
▸ TUBB2B Q9BVA1 8/20 0.42

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
SCHEMBL10203786 0.84 ACHE (0.59) CYP3A4MAPTACHETUBB1TUBB4A
Water SCHEMBL27661192 0.81 ACHE (0.56) CYP3A4MAPTACHETUBB1TUBB4A
SCHEMBL20737136 0.80 CYP3A4 (0.41) CYP3A4MAPTTDP1SLC22A6SLC22A8
SCHEMBL8162269 0.77 CYP3A4 (0.77) TPMTCYP3A4MAPTTDP1ACHE
SCHEMBL19681308 0.77 TP53 (0.38) CYP3A4MAPTTUBB1SLC22A6SLC22A8
SCHEMBL29421895 0.76 ACHE (0.70) TPMTCYP3A4MAPTTDP1ACHE
SCHEMBL1427958 0.76 ACHE (0.70) TPMTCYP3A4MAPTTDP1ACHE
SCHEMBL1402215 0.76 CYP3A4 (0.60) TPMTCYP3A4MAPTTDP1ACHE
SCHEMBL9768502 0.75 CYP3A4 (0.58) TPMTCYP3A4MAPTTDP1ACHE
SCHEMBL191032 0.74 TPMT (0.53) TPMTCYP3A4MAPTTDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND OSAKA UNIVERSITY (JP) 2012-07-05 — — US disclosed
US-20110031477-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2011-02-10 — — 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 (2 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-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND TYR, AOX1, POR TPMT 1111/4885CYP3A4 19/4885MAPT 762/4885
US-20110031477-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES DDT, DDO, GRIN2B TPMT 1543/4885CYP3A4 762/4885MAPT 514/4885

“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.

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