SCHEMBL5899516

SCHEMBL5899516

c1cc2c(cc1B1OC3CCCC3O1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HPGD P15428 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MAPK9 P45984 2/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MCL1 Q07820 1/20 0.36

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
SCHEMBL5899492 0.79 MAPK9 (0.45) ALDH1A1HSD17B10TDP1CYP3A4HPGD
SCHEMBL5899628 0.75 HTT (0.42) ALDH1A1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL5899431 0.70 CYP3A4 (0.40) ALDH1A1TDP1CYP3A4HPGDMAPT
SCHEMBL30544472 0.69 LPL (0.44) ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL3148663 0.69 LPL (0.44) ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL5899584 0.68 HSD17B10 (0.37) ALDH1A1HSD17B10TDP1CYP3A4NPC1
SCHEMBL5899548 0.67 MAPK9 (0.37) ALDH1A1CYP3A4RAB9AHPGDMAPK9
SCHEMBL5899518 0.67 POLB (0.40) ALDH1A1HSD17B10TDP1CYP3A4SMN1; SMN2
SCHEMBL5899619 0.67 CYP3A4 (0.39) ALDH1A1HSD17B10TDP1CYP3A4NPC1
SCHEMBL12094206 0.66 CYP2C19 (0.54) ALDH1A1HSD17B10TDP1CYP3A4NPC1

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 ALDH1A1 994/4885HSD17B10 344/4885TDP1 3568/4885

“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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