SCHEMBL13301231

SCHEMBL13301231

CC(=O)[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.61
ALDH1A1 P00352 2/20 0.59
SLC9A1 P19634 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 1/20 0.53
FFAR1 O14842 1/20 0.51
DEGS1 O15121 1/20 0.51
HRH3 Q9Y5N1 3/20 0.51
NAMPT P43490 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL15030617 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL8083082 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL4752 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL13693410 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL13920783 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL6997217 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL14094837 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL4751 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL8295172 0.83 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1SMN1; SMN2HPGD
SCHEMBL4126470 0.83 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464317-B1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIV LAVAL (CA) 2023-04-26 EP disclosed
US-11174282-B2 Aminosteroid derivatives and process for producing same UNIVERSITé LAVAL (CA) 2021-11-16 US disclosed
WO-2017205964-A1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIVERSITé LAVAL (CA) 2017-12-07 WO disclosed
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
WO-2010060215-A1 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES UNIVERSITé LAVAL (CA) 2010-06-03 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 (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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 HDAC4 13/4885ALDH1A1 2293/4885SLC9A1 1356/4885
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives NR5A1, HSD17B11, CYP17A1 HDAC4 612/4885ALDH1A1 556/4885SLC9A1 4818/4885
US-11174282-B2 Aminosteroid derivatives and process for producing same HSD17B11, HSD17B7, CYP19A1 HDAC4 3243/4885ALDH1A1 668/4885SLC9A1 4695/4885

“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.