SCHEMBL23219879

SCHEMBL23219879

FB(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 2/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
BCL2L1 Q07817 2/20 0.40
BAD Q92934 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A3 P47895 1/20 0.40
PTGS1 P23219 3/20 0.39
NFE2L2 Q16236 1/20 0.38
KIF11 P52732 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL23578424 0.91 MGLL (0.56) CA1CA2MGLLALDH1A1BCL2L1
SCHEMBL412237 0.83 ALDH1A1 (0.60) ALDH1A1BCL2L1BADMEN1POLB
SCHEMBL7938359 0.83 ALDH1A1 (0.60) ALDH1A1BCL2L1BADMEN1POLB
SCHEMBL12444110 0.83 ALDH1A1 (0.60) ALDH1A1BCL2L1BADMEN1POLB
SCHEMBL17868174 0.83 ORAI1 (0.55) CA1CA2ORAI1ORAI2ORAI3
SCHEMBL23219856 0.80 TRPV6 (0.70) CA1CA2MGLLALDH1A1ORAI1
SCHEMBL29130498 0.80 ALDH1A1 (0.56) ALDH1A1BCL2L1BADMEN1POLB
Water SCHEMBL6337149 0.80 ALDH1A1 (0.56) ALDH1A1BCL2L1BADMEN1POLB
Water SCHEMBL3745867 0.80 ALDH1A1 (0.56) ALDH1A1BCL2L1BADMEN1POLB
SCHEMBL11491288 0.80 ALDH1A1 (0.56) ALDH1A1BCL2L1BADMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase THE PENN STATE RESEARCH FOUNDATION (US) 2021-04-13 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-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase PTPRO, PTPRR, PPP1R1B CA1 1591/4885CA2 478/4885MGLL 4145/4885

“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.