SCHEMBL15529967

SCHEMBL15529967

NC(=O)C1(c2ccccc2)C=CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.39
AKR1C1 Q04828 1/20 0.34
HDAC9 Q9UKV0 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 3/20 0.32
MAOB P27338 1/20 0.32
SLC6A2 P23975 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL4451679 0.86 HDAC4 (0.41) HDAC4AKR1C1HDAC9HSD11B1OPRM1
Benzene SCHEMBL28354853 0.86 HDAC4 (0.41) HDAC4AKR1C1HDAC9HSD11B1OPRM1
SCHEMBL3836530 0.83 HDAC4 (0.39) HDAC4AKR1C1HDAC9TSHRHSD11B1
SCHEMBL29120630 0.83 HDAC4 (0.39) HDAC4AKR1C1HDAC9HSD11B1OPRM1
SCHEMBL29531155 0.81 HDAC4 (0.38) HDAC4AKR1C1HDAC9POLBCYP3A4
SCHEMBL28878362 0.79 HDAC4 (0.33) HDAC4
SCHEMBL28916077 0.79 HDAC4 (0.33) HDAC4
SCHEMBL5232783 0.77 HDAC4 (0.41) HDAC4AKR1C1POLBCYP3A4PARP1
SCHEMBL14889498 0.76 CES2 (0.36) HDAC4MAPTCYP2C19RECQLL3MBTL1
Acetonitrile SCHEMBL28747283 0.76 CYP11B1 (0.34) HDAC4AKR1C1MAPTHSD17B10OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968207-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI Foundation, Inc. (US) 2016-01-20 EP claimed
WO-2014159218-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI FOUNDATION, INC. (US) 2014-10-02 WO claimed
US-12503425-B2 Methods of treating or controlling cytotoxic cerebral edema AEROMICS, INC. (US) 2025-12-23 US disclosed
US-20240360077-A1 METHODS AEROMICS, INC. 2024-10-31 US disclosed
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AEROMICS, INC. (US) 2024-01-16 US disclosed
CN-114671920-B Amide pentaacetyl geniposide derivative as well as preparation method and application thereof 山东省农业科学院 2023-06-20 CN disclosed
US-20220081391-A1 METHODS AEROMICS, INC. 2022-03-17 US disclosed
EP-3065728-A1 NOVEL METHODS Aeromics, Inc. (US) 2016-09-14 EP disclosed
EP-2968207-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI Foundation, Inc. (US) 2016-01-20 EP disclosed
WO-2015069948-A1 NOVEL METHODS AEROMICS, LLC (US) 2015-05-14 WO disclosed
EP-2846787-A2 NEW METHODS Aeromics LLC (US) 2015-03-18 EP disclosed
WO-2014159218-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
WO-2013169939-A2 NEW METHODS AEROMICS, LLC (US) 2013-11-14 WO 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 (4 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-12503425-B2 Methods of treating or controlling cytotoxic cerebral edema AQP4, AQP1, AQP3 HDAC4 748/4885AKR1C1 2091/4885HDAC9 2178/4885
US-20220081391-A1 METHODS AQP4, AQP1, AQP3 HDAC4 892/4885AKR1C1 2138/4885HDAC9 2145/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 HDAC4 937/4885AKR1C1 2485/4885HDAC9 2185/4885
US-20240360077-A1 METHODS AQP4, AQP1, AQP3 HDAC4 1027/4885AKR1C1 2503/4885HDAC9 2352/4885

“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.