SCHEMBL22867751

SCHEMBL22867751

CC/C=C\C1(c2cc(OC)cc(OC)c2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PDE7A Q13946 1/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
SLC6A2 P23975 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
ESR1 P03372 2/20 0.30
AHR P35869 1/20 0.30
TSHR P16473 1/20 0.30
EGFR P00533 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL4823108 0.84 CNR2 (0.41) NPC1SLC6A4GRIN1GRIN2AGRIN2B
SCHEMBL14002195 0.84 CNR2 (0.41) NPC1SLC6A4GRIN1GRIN2AGRIN2B
SCHEMBL4823111 0.84 CNR2 (0.41) NPC1SLC6A4GRIN1GRIN2AGRIN2B
SCHEMBL29617031 0.77 ALDH1A1 (0.39) NPC1ALDH1A1PDE7ASLC6A4SLC6A3
SCHEMBL29617028 0.77 ALDH1A1 (0.39) NPC1ALDH1A1PDE7ASLC6A4SLC6A3
SCHEMBL4822354 0.75 ALDH1A1 (0.41) NPC1ALDH1A1PDE7ASLC6A4SLC6A3
SCHEMBL4826928 0.71 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1ESR1AHR
SCHEMBL15043707 0.71 SLC6A3 (0.45) SLC6A4SLC6A3S1PR1SLC6A2
SCHEMBL22867344 0.67 CNR2 (0.44) SLC6A4GRIN1GRIN2AGRIN2BS1PR1
SCHEMBL22872152 0.65 S1PR1 (0.41) NPC1ALDH1A1SLC6A4SLC6A3GRIN1

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
US-20220259172-A1 CHEMICAL INHIBITORS OF ID PROTEINS FOR THE TREATMENT OF CANCER AND OTHER DISEASES Universität Heidelberg (DE) 2022-08-18 US disclosed
EP-3994123-A1 CHEMICAL INHIBITORS OF ID PROTEINS FOR THE TREATMENT OF CANCER AND OTHER DISEASES Universität Heidelberg (DE) 2022-05-11 EP disclosed
WO-2021001128-A1 CHEMICAL INHIBITORS OF ID PROTEINS FOR THE TREATMENT OF CANCER AND OTHER DISEASES Universität Heidelberg (DE) 2021-01-07 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-20220259172-A1 CHEMICAL INHIBITORS OF ID PROTEINS FOR THE TREATMENT OF CANCER AND OTHER DISEASES ING2, IKZF1, DDIT3 NPC1 3386/4885ALDH1A1 2934/4885PDE7A 4646/4885

“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.