SCHEMBL5596263

SCHEMBL5596263

COc1ccccc1COC[C@@H](CO)OCCOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.37
KDM4C Q9H3R0 1/20 0.36
CACNA1B Q00975 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TACR1 P25103 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5595684 0.79 LPAR1 (0.38) MEN1KMT2A
SCHEMBL8321854 0.78 TACR1 (0.47) MEN1KMT2AHPGDKDM4CCACNA1B
SCHEMBL3506600 0.77 KDM4C (0.42) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL14538695 0.76 NPC1 (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL22653145 0.75 KDM4C (0.41) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL22633364 0.75 KDM4C (0.41) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2354473 0.74 MEN1 (0.41) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL19067485 0.72 MEN1 (0.36) MEN1KMT2AKDM4C
SCHEMBL27031868 0.70 KDM4C (0.41) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL27032269 0.70 KDM4C (0.41) MEN1KMT2AKDM4CNPC1RAB9A

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-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-31 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-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof LPAR4, LPAR2, LPAR5 MEN1 758/4885KMT2A 1248/4885HPGD 797/4885

“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.