SCHEMBL12680412

SCHEMBL12680412

COc1c(Br)cc(Br)cc1C1COC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.41
▸ CA2 P00918 4/20 0.37
▸ CA4 P22748 4/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR2A P28223 5/20 0.33
▸ SHBG P04278 2/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ CA1 P00915 3/20 0.32
▸ CA6 P23280 3/20 0.32
▸ TTR P02766 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL18512278 0.76 ACHE (0.33) MEN1KMT2AHTR2ASHBGHTR2C
SCHEMBL301662 0.72 HSD17B10 (0.59) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL31063323 0.70 CA2 (0.35) CA2CA4MEN1KMT2AHTR2A
SCHEMBL18512250 0.70 CYP4F2 (0.38) CA2MEN1KMT2ACA1ALDH1A1
SCHEMBL930423 0.68 KDM4E (0.36) HSD17B10CA2CA4MEN1KMT2A
SCHEMBL24252867 0.68 APLNR (0.34) CA2CA4MEN1KMT2AHTR2A
SCHEMBL17595118 0.67 CHRM1 (0.38) ALOX15ALOX12MEN1KMT2AHTR2C
SCHEMBL12678950 0.66 HSD17B10 (0.41) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL11216824 0.65 HSD17B10 (0.52) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL9695064 0.63 TPMT (0.58) HSD17B10CA2CA4ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B HSD17B10 1679/4885CA2 4842/4885CA4 4764/4885

“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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