SCHEMBL2408381

SCHEMBL2408381

OB(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 2/20 0.42
ORAI1 Q96D31 2/20 0.40
ORAI2 Q96SN7 2/20 0.40
ORAI3 Q9BRQ5 2/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IDO1 P14902 2/20 0.36
CA2 P00918 1/20 0.36
PDK2 Q15119 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL29410834 0.86 ENPP2 (0.41) TRPV6GAALMNAALDH1A1POLB
SCHEMBL4288 0.86 ENPP2 (0.41) TRPV6GAALMNAALDH1A1POLB
SCHEMBL2399014 0.86 ALDH1A1 (0.37) TRPV6ORAI1ORAI2ORAI3GAA
SCHEMBL813858 0.80 ALDH1A1 (0.41) GAALMNAALDH1A1POLBTDP1
SCHEMBL31606418 0.80 ALDH1A1 (0.41) GAALMNAALDH1A1POLBTDP1
SCHEMBL28204350 0.79 IDO1 (0.36) TRPV6ORAI1ORAI2ORAI3GAA
SCHEMBL1493142 0.78 ALDH1A1 (0.40) GAALMNAALDH1A1POLBTDP1
SCHEMBL28043678 0.77 MEN1 (0.36) TRPV6GAALMNAALDH1A1POLB
SCHEMBL8852075 0.76 ALDH1A1 (0.39) GAALMNAALDH1A1POLBTDP1
SCHEMBL32674542 0.76 ALDH1A1 (0.39) GAALMNAALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600066-B1 Process for preparing perhalogenated monoorganoboranes or diorganoboranes which makes it possible to obtain these compounds under conditions which can readily be implemented in the industry is described. BASELL POLYOLEFINE GMBH (DE) 2003-07-29 US claimed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TRPV6 4868/4885ORAI1 4605/4885ORAI2 3906/4885

“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.