SCHEMBL239719

SCHEMBL239719

CN(c1ccc(Cl)cc1)c1ccc(B(O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.67
CHKA P35790 6/20 0.43
CA2 P00918 3/20 0.43
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
CA1 P00915 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14059717 0.85 ENPP2 (0.76) ENPP2CA2LPLLIPGORAI1
SCHEMBL28166 0.82 ENPP2 (1.00) ENPP2CA2LPLLIPGORAI1
SCHEMBL5213200 0.82 CHKA (0.55) CHKATSHRALDH1A1POLBTDP1
Ethane SCHEMBL6986774 0.79 CHKA (0.53) CHKATSHRALDH1A1POLBTDP1
SCHEMBL27648777 0.79 ENPP2 (0.94) ENPP2CA2LPLLIPGORAI1
Hydrochloric Acid SCHEMBL6414496 0.79 CHKA (0.53) CHKATSHRALDH1A1POLBTDP1
SCHEMBL28117303 0.79 ENPP2 (0.94) ENPP2CA2LPLLIPGORAI1
SCHEMBL26745046 0.78 ENPP2 (0.64) ENPP2CA2LPLLIPGORAI1
SCHEMBL3845008 0.76 PGR (0.57) ENPP2CA2CA1ALDH1A1
SCHEMBL11160853 0.76 PTGS2 (0.54) CHKAALDH1A1POLBTDP1

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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R ENPP2 178/4885CHKA 3910/4885CA2 2545/4885

“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.