SCHEMBL26085595

SCHEMBL26085595

CCc1cc(C(=O)O)cn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DAO P14920 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 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
SCHEMBL21570205 0.84 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21570113 0.82 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21570215 0.79 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26085596 0.79 CA12 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3163591 0.77 CREBBP (0.44) ALDH1A1L3MBTL1DAORXRARXRB
SCHEMBL23772099 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBCREBBP
Acetic Acid SCHEMBL11235343 0.74 IDH1 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2359914 0.74 SRD5A2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2783116 0.72 CYP2C9 (0.54) L3MBTL1MEN1KMT2ATPMTPOLB
SCHEMBL6438124 0.72 TPMT (0.44) ALDH1A1L3MBTL1DAORXRARXRB

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-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 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 (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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 HDAC3 491/4885HDAC4 1490/4885HDAC1 204/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HDAC3 491/4885HDAC4 1490/4885HDAC1 204/4885

“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.