SCHEMBL6986876

SCHEMBL6986876

CCCc1cccc(C(C)C)c1N1C(=O)c2cccc3c(Oc4ccc(C(C)(C)c5ccccc5)cc4)ccc(c23)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 9/20 0.39
▸ BCL2 P10415 6/20 0.37
▸ BCL2L1 Q07817 4/20 0.37
▸ DPP4 P27487 3/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ ANPEP P15144 3/20 0.34
▸ PRMT1 Q99873 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTT P42858 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
SCHEMBL1518018 0.91 DPP4 (0.42) MCL1BCL2BCL2L1DPP4NR1H2
SCHEMBL12414748 0.86 ANPEP (0.37) MCL1BCL2BCL2L1DPP4NR1H2
SCHEMBL14527523 0.85 ALDH1A1 (0.41) MCL1BCL2BCL2L1PRMT1ALDH1A1
SCHEMBL3287036 0.83 MCL1 (0.53) MCL1BCL2BCL2L1DPP4NR1H2
SCHEMBL3289495 0.81 MCL1 (0.44) MCL1BCL2BCL2L1DPP4NR1H2
SCHEMBL993935 0.80 MCL1 (0.44) MCL1BCL2BCL2L1DPP4NR1H2
SCHEMBL12414728 0.79 MCL1 (0.33) MCL1DPP4ANPEP
SCHEMBL6984121 0.79 ANPEP (0.41) DPP4NR1H2NR1H3ANPEPPRMT1
SCHEMBL12414733 0.79 ANPEP (0.38) DPP4NR1H2NR1H3ANPEP
SCHEMBL12414747 0.78 ANPEP (0.38) MCL1BCL2BCL2L1DPP4NR1H2

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-8507590-B2 Fluorescent brighteners, methods of preparation thereof, fluorescent brightener compositions, and methods of preparation and uses thereof SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-08-13 — — US disclosed
US-20120203001-A1 FLUORESCENT BRIGHTENERS, METHODS OF PREPARATION THEREOF, FLUORESCENT BRIGHTENER COMPOSITIONS, AND METHODS OF PREPARATION AND USES THEREOF SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-08-09 — — US disclosed
US-8183310-B2 Fluorescent brighteners, methods of preparation thereof, fluorescent brightener compositions, and methods of preparation and uses thereof SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-05-22 — — US disclosed
US-20110065843-A1 FLUORESCENT BRIGHTENERS, METHODS OF PREPARATION THEREOF, FLUORESCENT BRIGHTENER COMPOSITIONS, AND METHODS OF PREPARATION AND USES THEREOF SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2011-03-17 — — 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-20110065843-A1 FLUORESCENT BRIGHTENERS, METHODS OF PREPARATION THEREOF, FLUORESCENT BRIGHTENER COMPOSITIONS, AND METHODS OF PREPARATION AND USES THEREOF C1R, C1S, C9 MCL1 431/4885BCL2 2217/4885BCL2L1 2010/4885
US-20120203001-A1 FLUORESCENT BRIGHTENERS, METHODS OF PREPARATION THEREOF, FLUORESCENT BRIGHTENER COMPOSITIONS, AND METHODS OF PREPARATION AND USES THEREOF C1R, C1S, C9 MCL1 431/4885BCL2 2217/4885BCL2L1 2010/4885

“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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