SCHEMBL29469520

SCHEMBL29469520

OCCOCCOc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.39
RECQL P46063 1/20 0.39
GCK P35557 1/20 0.39
APP P05067 3/20 0.39
NPC1 O15118 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL22190232 1.00 MEN1 (0.41) MEN1KMT2AALDH1A1RECQLGCK
SCHEMBL27333271 0.90 NPC1 (0.44) ALDH1A1NPC1CYP2D6CYP2C19L3MBTL1
SCHEMBL30402955 0.88 ALDH1A1 (0.50) ALDH1A1RECQLGCKNPC1CYP2D6
SCHEMBL2416582 0.88 ALDH1A1 (0.50) ALDH1A1RECQLGCKNPC1CYP2D6
SCHEMBL10403788 0.87 NPC1 (0.40) ALDH1A1GCKNPC1CYP2D6CYP2C19
SCHEMBL22190243 0.85 APP (0.44) ALDH1A1APPNPC1CYP2D6CYP2C19
SCHEMBL4190714 0.84 KDM4E (0.50) MEN1KMT2AALDH1A1NPC1CYP2D6
SCHEMBL4495520 0.82 ALDH1A1 (0.42) ALDH1A1RECQLGCKNPC1CYP2D6
Triethylene Glycol SCHEMBL17421661 0.82 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1RECQLGCK
SCHEMBL28074874 0.81 NPC1 (0.42) ALDH1A1NPC1CYP2D6CYP2C19L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12109263-B2 Integrin agonists or activating compounds and methods for making and using same 7 HILLS PHARMA INC. 2024-10-08 US disclosed
US-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2022-04-21 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 (2 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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME ICOS, CD47, CD274 MEN1 2690/4885KMT2A 1028/4885ALDH1A1 398/4885
US-12109263-B2 Integrin agonists or activating compounds and methods for making and using same ICOS, CD47, CD274 MEN1 2690/4885KMT2A 1028/4885ALDH1A1 398/4885

“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.