SCHEMBL17868174

SCHEMBL17868174

FB(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.55
ORAI2 Q96SN7 1/20 0.55
ORAI3 Q9BRQ5 1/20 0.55
TRPV6 Q9H1D0 1/20 0.55
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.40
IDO1 P14902 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
APP P05067 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL23219879 0.83 CA1 (0.48) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL17236450 0.80 ORAI1 (0.55) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL125724 0.76 ORAI1 (0.58) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL13499 0.73
SCHEMBL5508 0.71 ORAI1 (0.68) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL21979751 0.71 ORAI1 (0.68) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL16978178 0.71 ORAI1 (0.52) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL1003006 0.71 TRPV6 (1.00) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL23219881 0.71 ENPP2 (0.52) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL1032443 0.69 TRPV6 (0.47) ORAI1ORAI2ORAI3TRPV6CA1

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-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
US-9991452-B2 Condensed-cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-05 US disclosed
US-9991452-B2 Condensed-cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-05 US disclosed
US-9991452-B2 Condensed-cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-05 US disclosed
US-20160190448-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190448-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190448-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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 (2 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 ORAI1 3960/4885ORAI2 3409/4885ORAI3 4172/4885
US-20160190448-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNE2, CRY1 ORAI1 2987/4885ORAI2 1307/4885ORAI3 1156/4885

“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.