SCHEMBL514358

SCHEMBL514358

CCC(CC)(c1ncc(-c2ccccc2)o1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
FAAH O00519 3/20 0.39
CES1 P23141 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39

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
SCHEMBL513327 0.78 NPC1 (0.47) NOTUMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL9372409 0.75 CYP1A2 (0.34) TSHRRAB9AKDM4ENPC1ALDH1A1
SCHEMBL9372032 0.74 SCD (0.30)
SCHEMBL9372061 0.73 PIK3CG (0.32) ALDH1A1
SCHEMBL515676 0.72 ALDH1A1 (0.45) NOTUMFAAHRAB9ANPC1ALDH1A1
SCHEMBL9373161 0.72
SCHEMBL9373439 0.72 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL1690976 0.72 ALOX15 (0.53) NOTUMRXRARXRBRXRGALOX15
SCHEMBL3728511 0.71 PTPN5 (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9372207 0.70 MAPT (0.40) ALDH1A1LMNATP53MEN1KMT2A

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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 NOTUM 3155/4885RXRA 1711/4885RXRB 1529/4885

“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.