SCHEMBL12806546

SCHEMBL12806546

Bc1cc(OC)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ ACHE P22303 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.39
▸ AXL P30530 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
SCHEMBL8114323 0.81 HTR3E (0.46) CA12CA1CA2CA7CA9
SCHEMBL14407094 0.77 KMT2A (0.47) ALDH1A1MEN1MAPTKMT2AGFER
SCHEMBL83318 0.77 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29352597 0.77 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL14986662 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL14407073 0.76 KMT2A (0.39) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL14407090 0.76 TEAD4 (0.48) ACHEALDH1A1MEN1MAPTKMT2A
SCHEMBL14407092 0.76 KMT2A (0.39) ALDH1A1MEN1MAPTKMT2AGFER
SCHEMBL29096230 0.75 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL15936174 0.74 CA12 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2023-11-28 — — US disclosed
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BORAH, INC. 2022-06-23 — — US disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 — — EP disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 — — 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 (3 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-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof JAK3, JAK1, JAK2 CA12 2075/4885CA1 2675/4885CA2 1365/4885
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 CA12 2075/4885CA1 2675/4885CA2 1365/4885
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 CA12 1978/4885CA1 1179/4885CA2 1775/4885

“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.

Send feedback