SCHEMBL10024034

SCHEMBL10024034

C=C(C)C(=O)Oc1ccc2cc(-c3ccc(O)cc3)c(=O)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.62
RAB9A P51151 7/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 2/20 0.62
GLA P06280 2/20 0.62
MIF P14174 9/20 0.61
RXFP1 Q9HBX9 2/20 0.61
ERAP1 Q9NZ08 2/20 0.61
SIRT3 Q9NTG7 1/20 0.61
ESR2 Q92731 2/20 0.60
GAPDH P04406 2/20 0.55
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
ESR1 P03372 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL2300739 0.94 NPC1 (0.66) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2303012 0.91 NPC1 (0.67) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12386518 0.89 NPC1 (0.78) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18509602 0.89 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL20275184 0.88 NPC1 (0.58) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23052991 0.87 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL21228893 0.87 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL21884746 0.87 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18646593 0.86 NPC1 (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12386519 0.86 NPC1 (0.56) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022391-A2 POLYMERIZABLE MIXTURES AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed
US-20110205482-A1 LIQUID-CRYSTAL DISPLAY MERCH PATENT GESELLSCHAFT MIT BESCHRANKTE HAFTUNG (DE) 2011-08-25 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-20110205482-A1 LIQUID-CRYSTAL DISPLAY VCL, LPXN, LCP1 NPC1 4181/4885RAB9A 2121/4885MEN1 2820/4885

“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.