SCHEMBL6409524

SCHEMBL6409524

CN1CCC(=C2c3ccccc3COc3ccc(OCC(=O)OC(C)(C)C)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
GPR84 Q9NQS5 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
SETD7 Q8WTS6 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 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
Hydrochloric Acid SCHEMBL5506486 0.87 KCNH2 (0.45) KCNH2SMN1; SMN2MAPTALDH1A1SETD7
SCHEMBL3131638 0.75 SETD7 (0.51) KCNH2SETD7HRH1
SCHEMBL3131124 0.74 HRH1 (0.57) KCNH2SETD7LMNAADRA1DADRA1A
SCHEMBL14318737 0.74 KCNH2 (0.67) KCNH2SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL14307767 0.74 ALDH1A1 (0.51) KCNH2SMN1; SMN2MAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL3136931 0.73 SETD7 (0.44) KCNH2MAPTALDH1A1SETD7KDM4E
SCHEMBL3037204 0.73 KDM4E (0.39) KCNH2GPR84SMN1; SMN2MAPTALDH1A1
SCHEMBL3131282 0.73 SETD7 (0.57) KCNH2MAPTALDH1A1SETD7KMT2A
SCHEMBL3147395 0.72 NPC1 (0.48) KCNH2SMN1; SMN2MAPTALDH1A1SETD7
Hydrochloric Acid SCHEMBL3039118 0.72 KDM4E (0.39) KCNH2GPR84SMN1; SMN2MAPTALDH1A1

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-20050288283-A1 Topical formulations for treating allergic diseases ALCON, INC. 2005-12-29 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-20050288283-A1 Topical formulations for treating allergic diseases TSLP, HRH2, HRH1 KCNH2 1917/4885GPR84 602/4885SMN1; SMN2 4398/4885

“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.