SCHEMBL5899518

SCHEMBL5899518

CC1(C)CC(C)(C)OB(c2ccc3c(c2)OCO3)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ ATM Q13315 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK9 P45984 2/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TAAR1 Q96RJ0 3/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35

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
SCHEMBL30544472 0.86 LPL (0.44) POLBCYP3A4ATMALDH1A1HSD17B10
SCHEMBL3148663 0.86 LPL (0.44) POLBCYP3A4ATMALDH1A1HSD17B10
SCHEMBL5899548 0.79 MAPK9 (0.37) POLBCYP3A4ATMCYP2D6CYP2C19
SCHEMBL5899619 0.77 CYP3A4 (0.39) POLBCYP3A4ATMALDH1A1HSD17B10
SCHEMBL29634547 0.76 LPL (0.44) POLBHTTKDM4E
SCHEMBL14212260 0.76 LPL (0.44) POLBHTTKDM4E
SCHEMBL2537823 0.73 LPL (0.33) —
SCHEMBL21731053 0.73 CYP3A4 (0.39) POLBCYP3A4ATMALDH1A1HSD17B10
SCHEMBL15335321 0.73 LPL (0.42) ALDH1A1SMN1; SMN2
SCHEMBL5899492 0.72 MAPK9 (0.45) CYP3A4ATMCYP2D6CYP2C19HTT

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 6 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
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

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 POLB 810/4885CYP3A4 80/4885ATM 3913/4885

“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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