SCHEMBL2604939

SCHEMBL2604939

OCCNc1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ APP P05067 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ KCNH3 Q9ULD8 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ SMO Q99835 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ RAD51 Q06609 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL19903945 0.82 NPC1 (0.48) ALDH1A1MAPTRAB9AKMT2A
SCHEMBL8115 0.81 ALDH1A1 (0.64) ALDH1A1MAPTRECQLMCL1KCNH3
SCHEMBL6388999 0.80 MEN1 (0.38) NFE2L2RECQLMCL1APPKCNH3
SCHEMBL6389002 0.80 MEN1 (0.38) NFE2L2RECQLMCL1APPKCNH3
Styrene SCHEMBL8611700 0.79 ALDH1A1 (0.52) ALDH1A1MAPTRECQLMCL1KCNH3
Water SCHEMBL11613453 0.79 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1KCNH3
SCHEMBL28184176 0.79 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1KCNH3
SCHEMBL27937393 0.79 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1KCNH3
Bromide SCHEMBL28400204 0.79 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1KCNH3
Hydrochloric Acid SCHEMBL1683326 0.79 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 — — US disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 — — US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 — — US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 — — 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 NFE2L2 2921/4885ALDH1A1 3495/4885MAPT 4/4885

“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.

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