SCHEMBL3433207

SCHEMBL3433207

Cc1ccc(N2CCCc3cc4c(cc32)C(C)(C)C4(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
ALDH1A1 P00352 4/20 0.39
KCNQ2 O43526 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRK1 P41145 3/20 0.35
OPRD1 P41143 2/20 0.35
CREBBP Q92793 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL3433243 0.78 CHRM2 (0.44) TP53ALDH1A1KCNQ2KDM4EUSP2
SCHEMBL3432341 0.74 TP53 (0.34) TP53ALDH1A1KDM4EUSP2TSHR
SCHEMBL2201933 0.73 SMN1; SMN2 (0.53) TP53ALDH1A1USP2TSHRSMN1; SMN2
SCHEMBL7038721 0.71 ALDH1A1 (0.61) TP53ALDH1A1KCNQ2KDM4ESMN1; SMN2
SCHEMBL17067809 0.71 ALDH1A1 (0.53) TP53ALDH1A1KCNQ2KDM4ETSHR
SCHEMBL25567784 0.70 TP53 (0.51) TP53ALDH1A1KDM4E
SCHEMBL28455024 0.70 TP53 (0.53) TP53ALDH1A1KCNQ2KDM4EMEN1
SCHEMBL21391490 0.69 SRD5A1 (0.54) TP53ALDH1A1KCNQ2KDM4EMEN1
SCHEMBL2201637 0.68 ALDH1A1 (0.46) TP53ALDH1A1KCNQ2KDM4ETSHR
SCHEMBL2201633 0.68 ALDH1A1 (0.46) TP53ALDH1A1KCNQ2KDM4ETSHR

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-8163910-B2 Amide-substituted xanthene dyes ELITECH HOLDING B.V. (NL) 2012-04-24 US disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 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-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 TP53 2340/4885ALDH1A1 4277/4885KCNQ2 3898/4885

“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.