SCHEMBL15912372

SCHEMBL15912372

CC(C)c1coc2cc(C(C)(C)C)ccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PON1 P27169 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL28988626 0.91 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10TDP1NPC1
SCHEMBL20932861 0.78 CYP26B1 (0.36) ALOX15NPC1RAB9A
SCHEMBL2704179 0.77 HPGD (0.43) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL26144298 0.77 ALDH1A1 (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL17615540 0.77 PTPN1 (0.47) KIF11ALDH1A1PTPN1GAAMAPT
SCHEMBL19620023 0.76 ESR1 (0.34) PTPN1
SCHEMBL23478670 0.75 ALDH1A1 (0.44) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL13915050 0.75 CYP11B1 (0.39) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL23422281 0.75 KIF11 (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL23478525 0.75 PON1 (0.36) KIF11ALDH1A1HPGDALOX15HSD17B10

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-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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 (3 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KIF11 3117/4885ALDH1A1 4135/4885HPGD 1026/4885
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 KIF11 1610/4885ALDH1A1 495/4885HPGD 741/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 KIF11 2189/4885ALDH1A1 477/4885HPGD 501/4885

“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.