SCHEMBL11720741

SCHEMBL11720741

CCn1c(=O)c2ccccc2c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.69
▸ RORA P35398 1/20 0.69
▸ RORC P51449 1/20 0.69
▸ RORB Q92753 1/20 0.69
▸ ALDH1A1 P00352 4/20 0.66
▸ KDM4E B2RXH2 3/20 0.60
▸ MAPK8 P45983 1/20 0.60
▸ RCE1 Q9Y256 1/20 0.60
▸ HTT P42858 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ TDP1 Q9NUW8 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ NPY5R Q15761 3/20 0.55
▸ MAPT P10636 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ MITF O75030 1/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ RAB9A P51151 1/20 0.54

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
SCHEMBL14560568 0.87 TDP1 (0.64) PGRRORARORCRORBALDH1A1
SCHEMBL6169717 0.84 KDM4E (0.69) PGRRORARORCRORBALDH1A1
SCHEMBL6168093 0.84 DPP4 (0.59) PGRRORARORCRORBALDH1A1
SCHEMBL6171511 0.84 KDM4E (0.69) PGRRORARORCRORBALDH1A1
SCHEMBL29963695 0.83 ALDH1A1 (0.75) ALDH1A1KDM4ERCE1HTTLMNA
SCHEMBL151563 0.83 ALDH1A1 (0.75) ALDH1A1KDM4ERCE1HTTLMNA
SCHEMBL29360167 0.83 ALDH1A1 (0.75) ALDH1A1KDM4ERCE1HTTLMNA
SCHEMBL30485670 0.82 PGR (0.68) PGRRORARORCRORBALDH1A1
SCHEMBL6362477 0.82 PGR (0.68) PGRRORARORCRORBALDH1A1
SCHEMBL14141960 0.82 RORA (1.00) PGRRORARORCRORBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713319-B2 Compounds having valerolactam structures MERCK PATENT GMBH (DE) 2023-08-01 — — US disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 — — US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 — — US disclosed
US-4020073-A Process for O-acylating thallus salts of 2-pyridone TAYLOR EDWARD C 1977-04-26 — — US disclosed
US-3947488-A O-Acylation using organothallium compounds TAYLOR EDWARD C 1976-03-30 — — 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-11713319-B2 Compounds having valerolactam structures ACE, CYP3A4, CYP2D6 PGR 818/4885RORA 301/4885RORC 173/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 PGR 4391/4885RORA 621/4885RORC 663/4885

“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.

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