SCHEMBL5899431

SCHEMBL5899431

c1ccc(C2COB(c3ccc4c(c3)OCO4)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ MAOB P27338 3/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK9 P45984 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL5899628 0.81 HTT (0.42) CYP3A4MAPTHPGDCYP2D6CYP2C9
SCHEMBL7458763 0.78 TSHR (0.48) HPGDCYP2C19MAOBTSHRMEN1
SCHEMBL2680294 0.78 TSHR (0.48) HPGDCYP2C19MAOBTSHRMEN1
SCHEMBL2680291 0.78 TSHR (0.48) HPGDCYP2C19MAOBTSHRMEN1
SCHEMBL5899584 0.70 HSD17B10 (0.37) CYP3A4MAPTHPGDCYP2D6CYP2C9
SCHEMBL5899516 0.70 ALDH1A1 (0.40) CYP3A4MAPTHPGDCYP2D6CYP2C9
SCHEMBL5899492 0.69 MAPK9 (0.45) CYP3A4MAPTHPGDCYP2D6CYP2C9
SCHEMBL6240131 0.66 TSHR (0.54) CYP2C19MAOBTSHRMEN1KMT2A
SCHEMBL5899619 0.64 CYP3A4 (0.39) CYP3A4MAPK1MAPK9TDP1ALDH1A1
SCHEMBL7784280 0.63 TSHR (0.50) CYP3A4CYP2D6CYP2C9CYP2C19MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP3A4 80/4885MAPT 4257/4885HPGD 1840/4885

“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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