SCHEMBL8882633

SCHEMBL8882633

C=C(c1ccccc1)P(C)(=O)OOC(C)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL8881971 0.83 LMNA (0.38) TSHRALDH1A1RAB9AMAPTLMNA
SCHEMBL2322102 0.70 ALDH1A1 (0.41) TSHRALDH1A1RAB9AMAPTLMNA
SCHEMBL8467742 0.68 LMNA (0.55) TSHRALDH1A1MAPTLMNATDP1
SCHEMBL14681161 0.67 TSHR (0.42) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL20628180 0.67 MAPT (0.43) TSHRALDH1A1RAB9AMAPTLMNA
SCHEMBL7738533 0.66 NR1I2 (0.53) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10040040 0.66 TSHR (0.41) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8680382 0.66 LMNA (0.52) TSHRALDH1A1MAPTLMNATDP1
SCHEMBL28475093 0.66 MAPT (0.46) TSHRALDH1A1RAB9AMAPTLMNA
SCHEMBL2322359 0.65 ALDH1A1 (0.40) TSHRALDH1A1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557888-B2 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2013-10-15 US disclosed
US-8557888-B2 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2013-10-15 US disclosed
US-20120302657-A1 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2012-11-29 US disclosed
US-20120302657-A1 Polymerizable compositions with improved through-curing depth IVOCLAR VIVADENT AG (LI) 2012-11-29 US disclosed
EP-2455059-A1 Polymerisable compound having improved hardening depth Ivoclar Vivadent AG (LI) 2012-05-23 EP 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-20120302657-A1 Polymerizable compositions with improved through-curing depth NR4A2, NR2C2, NOS2 TSHR 3716/4885ALDH1A1 3730/4885RAB9A 4788/4885

“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.