SCHEMBL5899628

SCHEMBL5899628

c1ccc(C2OB(c3ccc4c(c3)OCO4)OC2c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ MAOB P27338 3/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CYP3A4 P08684 5/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38

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
SCHEMBL5899431 0.81 CYP3A4 (0.40) HTTMAOBKDM1AMAOACYP3A4
SCHEMBL5899492 0.78 MAPK9 (0.45) HTTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5899516 0.75 ALDH1A1 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL30544472 0.68 LPL (0.44) CYP3A4ALDH1A1
SCHEMBL3148663 0.68 LPL (0.44) CYP3A4ALDH1A1
SCHEMBL5899548 0.66 MAPK9 (0.37) HTTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5899518 0.66 POLB (0.40) HTTCYP3A4CYP2D6CYP2C19MAPK9
SCHEMBL5899619 0.66 CYP3A4 (0.39) CYP3A4MAPK9MAPK1ALDH1A1
Benzene SCHEMBL28224106 0.65 ABCG2 (0.93) HTTMAOBMAOACYP3A4CYP2D6
SCHEMBL5134192 0.64 TSHR (0.37) MAOBKDM1AMAOACYP3A4CYP2D6

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-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 — — EP claimed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 — — US claimed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 — — US claimed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 — — EP claimed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 — — EP claimed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 — — WO claimed
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 — — US disclosed
EP-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 — — EP disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 — — US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 — — EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 — — US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 — — EP disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 — — EP disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 — — WO 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-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 HTT 588/4885MAOB 141/4885KDM1A 2443/4885

“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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