SCHEMBL9982901

SCHEMBL9982901

C=C(C)OB(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV6 Q9H1D0 4/20 0.42
▸ ENPP2 Q13822 4/20 0.42
▸ ORAI1 Q96D31 3/20 0.42
▸ ORAI2 Q96SN7 3/20 0.42
▸ ORAI3 Q9BRQ5 3/20 0.42
▸ PCSK9 Q8NBP7 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ PAX8 Q06710 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 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
SCHEMBL21915118 0.81 ENPP2 (0.44) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL28524847 0.80 ELANE (0.44) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL651370 0.78 ORAI1 (0.42) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL56273 0.74 ORAI1 (0.42) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL1672441 0.73 ORAI1 (0.46) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL691860 0.72 ENPP2 (0.50) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL28696570 0.72 TRPV6 (0.50) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL28664851 0.71 TRPV6 (0.44) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL1237453 0.71 KMT2A (0.42) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL1848691 0.71 TRPV6 (0.63) TRPV6ENPP2ORAI1ORAI2ORAI3

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-9425402-B2 Polymerizable monomer, and material for organic device, hole injection/transport material, material for organic electroluminescence element and organic electroluminescent element each comprising polymer (polymeric compound) of the polymerizable monomer IDEMITSU KOSAN CO., LTD. (JP) 2016-08-23 — — US disclosed
US-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU KOSAN CO (JP) 2015-03-26 — — US disclosed
US-20110315964-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU LOSAN CO., LTD. 2011-12-29 — — 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-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 TRPV6 42/4885ENPP2 3791/4885ORAI1 423/4885
US-20110315964-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 TRPV6 53/4885ENPP2 3674/4885ORAI1 431/4885

“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.

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