SCHEMBL26326796

SCHEMBL26326796

COc1cc(C)ccc1NCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ACHE P22303 2/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL22965291 0.85 KMT2A (0.45) NPC1RAB9AACHEBACE1KMT2A
SCHEMBL26326821 0.81 TDP1 (0.46) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL26326819 0.80 NPC1 (0.56) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL20460623 0.80 NPC1 (0.42) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL17815738 0.79 ACHE (0.40) ACHEBACE1TDP1CYP3A4MAPT
SCHEMBL1240799 0.76 GALR1 (0.44) HPGDSMN1; SMN2ACHEBACE1TDP1
SCHEMBL14258683 0.75 ACHE (0.52) KDM4EACHETDP1ALDH1A1CYP3A4
SCHEMBL25041758 0.74 PTK2 (0.39) KDM4EHPGDSMN1; SMN2ACHEBACE1
SCHEMBL14220732 0.74 NPC1 (0.58) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL14838605 0.74 RAPGEF4 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-11767316-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-09-26 — — 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-11767316-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH NPC1 320/4885RAB9A 1953/4885KDM4E 2484/4885

“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.

Send feedback