SCHEMBL20110271

SCHEMBL20110271

C=C(O)c1ccc(CNC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS2 P35354 1/20 0.40
LTA4H P09960 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.38
ITGB1 P05556 3/20 0.37
ITGA5 P08648 3/20 0.37
CYP2D6 P10635 1/20 0.37
PARP1 P09874 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36

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
SCHEMBL21153354 0.83 ALDH1A1 (0.39) ALDH1A1LMNACYP1A2CYP2C19SIGMAR1
SCHEMBL3271284 0.81 SIGMAR1 (0.48) ALDH1A1LMNACYP1A2CYP2C19SIGMAR1
SCHEMBL9911525 0.81 KMT2A (0.59) ALDH1A1LMNACYP1A2CYP2C19ALOX15
SCHEMBL20850576 0.77 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2CYP2C19ALOX15
SCHEMBL12674550 0.77 KMT2A (0.55) ALDH1A1LMNACYP1A2CYP2C19ALOX15
SCHEMBL12667380 0.76 ALDH1A1 (0.46) ALDH1A1LMNACYP1A2CYP2C19SIGMAR1
SCHEMBL19080482 0.76 PRSS1 (0.52) LMNAITGB3
Methyl Alcohol SCHEMBL29261100 0.75 SIGMAR1 (0.61) ALDH1A1LMNASIGMAR1SMN1; SMN2POLB
SCHEMBL9781281 0.75 SLC6A2 (0.48) ALDH1A1LMNASIGMAR1ALOX15POLB
SCHEMBL143708 0.74 SIGMAR1 (0.65) SIGMAR1SMN1; SMN2POLBKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640466-B2 Anthracene based compounds and their uses UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2020-05-05 US disclosed
US-20180118685-A1 ANTHRACENE BASED COMPOUNDS AND THEIR USES UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2018-05-03 US disclosed
US-20180118685-A1 ANTHRACENE BASED COMPOUNDS AND THEIR USES UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2018-05-03 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-20180118685-A1 ANTHRACENE BASED COMPOUNDS AND THEIR USES CYP2D6, CYP3A43, ACMSD ALDH1A1 1242/4885LMNA 823/4885CYP1A2 11/4885
US-10640466-B2 Anthracene based compounds and their uses CYP2D6, CYP3A43, ACMSD ALDH1A1 1242/4885LMNA 823/4885CYP1A2 11/4885

“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.