SCHEMBL21585396

SCHEMBL21585396

CCOc1ccc(C)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
CCR4 P51679 1/20 0.36
MAPK8 P45983 1/20 0.36
HTT P42858 2/20 0.35
ELANE P08246 1/20 0.35
ADORA1 P30542 2/20 0.35
PDE10A Q9Y233 2/20 0.35
CACNA2D1 P54289 1/20 0.34
ADORA2A P29274 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
BTK Q06187 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NQO1 P15559 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
SCHEMBL4263974 0.88 MAPT (0.38) MAPTMAPK8HTTELANEADORA1
SCHEMBL26414376 0.81 TSHR (0.44) POLBTDP1RECQLPDE10ALMNA
SCHEMBL1911864 0.81 POLB (0.52) POLBTDP1MAPTRECQLHTT
SCHEMBL15901388 0.79 HPGD (0.37) POLBTDP1MAPTCCR4MAPK8
SCHEMBL21582525 0.79 MAPT (0.39) POLBTDP1MAPTCCR4MAPK8
SCHEMBL12903736 0.78 NOS3 (0.41) MAPTMAPK8HTTELANEADORA1
SCHEMBL15195563 0.76 PPIA (0.32) POLBTDP1RECQL
SCHEMBL26414389 0.75 RECQL (0.33) POLBTDP1RECQLPDE10ALMNA
SCHEMBL19155793 0.74 MAPT (0.37) TDP1MAPTMAPK8HTTELANE
SCHEMBL12113606 0.73 TXNRD1 (0.51) MAPTLMNA

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
EP-3802517-B1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2022-12-21 EP disclosed
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-12 US disclosed
WO-2019234115-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2019-12-12 WO 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-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS LPAR1, LPAR3, LPAR2 POLB 3402/4885TDP1 3521/4885MAPT 4753/4885

“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.