SCHEMBL19004805

SCHEMBL19004805

CCC(=O)c1ccc(Nc2nc3c(C)cccc3o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.42
CEPT1 Q9Y6K0 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
AGPAT2 O15120 2/20 0.40
IL6 P05231 1/20 0.40
STAT3 P40763 1/20 0.40
FBP1 P09467 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3769922 0.86 NPC1 (0.45) HDAC6CEPT1MEN1KMT2AKDM4E
SCHEMBL13058907 0.86 KDM4E (0.54) HDAC6CEPT1MEN1KMT2AKDM4E
SCHEMBL22703574 0.85 HDAC6 (0.40) HDAC6CEPT1MEN1KMT2AKDM4E
SCHEMBL22703625 0.83 AGPAT2 (0.41) HDAC6CEPT1MEN1KMT2AAGPAT2
SCHEMBL13002090 0.83 HDAC6 (0.42) HDAC6CEPT1MEN1KMT2AKDM4E
SCHEMBL1748138 0.82 CEPT1 (0.41) HDAC6CEPT1MEN1KMT2AKDM4E
SCHEMBL22703575 0.81 NPC1 (0.60) HDAC6MEN1KMT2AIL6STAT3
SCHEMBL3763528 0.81 FFAR1 (0.45) CEPT1MEN1KMT2AKDM4EAGPAT2
SCHEMBL13059489 0.81 CEPT1 (0.41) HDAC6CEPT1MEN1KMT2AKDM4E
SCHEMBL8224969 0.80 CEPT1 (0.41) HDAC6CEPT1MEN1KMT2AAGPAT2

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-20200369723-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-26 US disclosed
US-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 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-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B HDAC6 1444/4885CEPT1 941/4885MEN1 1824/4885
US-20200369723-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B HDAC6 1444/4885CEPT1 941/4885MEN1 1824/4885

“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.