SCHEMBL22651631

SCHEMBL22651631

CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1O)c64)C(=O)N(c1cccc(N2CCCCC2)c1)C5=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ TNNI3 P19429 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TNNT2 P45379 1/20 0.41
▸ TNNC1 P63316 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ RAB9A P51151 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TERT O14746 2/20 0.36
▸ POLB P06746 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KIF11 P52732 2/20 0.35

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
SCHEMBL18379077 0.85 TERT (0.49) ALDH1A1MEN1KMT2AL3MBTL1USP2
SCHEMBL23425474 0.83 TERT (0.40) ALDH1A1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL22651728 0.81 KDM4E (0.36) ALDH1A1MEN1KMT2AL3MBTL1USP2
SCHEMBL20392828 0.80 STAT3 (0.48) ALDH1A1MEN1KMT2AL3MBTL1USP2
SCHEMBL22651727 0.79 STAT3 (0.41) ALDH1A1MEN1KMT2AL3MBTL1USP2
SCHEMBL22651653 0.78 STAT3 (0.37) ALDH1A1MEN1KMT2AL3MBTL1USP2
SCHEMBL22651696 0.78 KDM4E (0.36) ALDH1A1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL23425475 0.77 HDAC6 (0.43) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL23987286 0.75 HEXA (0.44) ALDH1A1MEN1KMT2AL3MBTL1USP2
SCHEMBL22651617 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AUSP2HTT

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-20200354356-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES UNIVERSITY OF UTAH 2020-11-12 — — 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-20200354356-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES NCS1, DAXX, CNDP2 ALDH1A1 151/4885MEN1 2950/4885KMT2A 3528/4885

“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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