SCHEMBL889824

SCHEMBL889824

CCc1ccc(C[n+]2ccc(C=Cc3cc[n+](C)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.51
▸ KDM2A Q9Y2K7 2/20 0.51
▸ CHAT P28329 6/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 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
SCHEMBL13321312 0.81 CHKA (0.58) BCHEACHECHKA
SCHEMBL14356080 0.80 KDM4A (0.50) KDM4AKDM2AALOX5PTGS1PTGS2
SCHEMBL12519753 0.76 CHAT (0.80) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL10001242 0.76 CHAT (0.80) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL14984146 0.75 KDM4A (0.62) KDM4AKDM2AALDH1A1KDM4ECYP2C19
SCHEMBL26536549 0.74 KDM4A (0.54) KDM4AKDM2AALDH1A1RAB9AKDM4E
SCHEMBL14984173 0.74 KDM4A (0.85) KDM4AKDM2AALDH1A1MAPTSMN1; SMN2
SCHEMBL16853122 0.73 ALOX5 (0.63) ALDH1A1RAB9AKDM4EHPGDMAPT
SCHEMBL6546261 0.73 ALOX5 (0.63) ALDH1A1RAB9AKDM4EHPGDMAPT
SCHEMBL9026432 0.73 ALOX5 (0.63) ALDH1A1RAB9AKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465921-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2013-06-18 — — US disclosed
US-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 — — US disclosed
US-7794945-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2010-09-14 — — US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 — — US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 — — 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-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 KDM4A 4133/4885KDM2A 4391/4885CHAT 4167/4885

“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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