SCHEMBL5899656

SCHEMBL5899656

B1Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.52
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
DNMT1 P26358 1/20 0.42
HPRT1 P00492 1/20 0.42
MAPT P10636 3/20 0.41
TAAR1 Q96RJ0 1/20 0.40
WDR5 P61964 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP19A1 P11511 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL12865356 0.88 GPR84 (0.46) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL9116047 0.81 HSD17B10 (0.44) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL8231432 0.74 GPR84 (0.52) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL9782961 0.74 GPR84 (0.52) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL888325 0.74 GPR84 (0.52) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL3126921 0.72 GPR84 (0.50) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL11401769 0.72 GPR84 (0.50) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL83992 0.72 GPR84 (0.46) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL14062625 0.71 HTR1A (0.48) GPR84ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL24275937 0.71 GPR84 (0.53) GPR84ALDH1A1HSD17B10TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 US claimed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US claimed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP 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 GPR84 2484/4885ALDH1A1 994/4885HSD17B10 344/4885

“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.