SCHEMBL16302061

SCHEMBL16302061

COC(=O)c1cc(C)c(Cc2ccccc2C(=O)OC)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL70322 0.77 ALDH1A1 (0.66) ALDH1A1LMNAKDM4EPOLBATM
SCHEMBL16901555 0.75 HPGD (0.54) ALDH1A1KDM4EATMHPGDKMT2A
SCHEMBL29054211 0.73 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EPOLBATM
SCHEMBL1978785 0.73 CSNK2A2 (0.45) ALDH1A1LMNAKDM4EPOLBATM
SCHEMBL16317866 0.72 SLC6A3 (0.47) ALDH1A1LMNAKDM4EPOLBATM
SCHEMBL28179236 0.71 HIF1A (0.59) ALDH1A1LMNAKDM4EPOLBATM
SCHEMBL905244 0.71 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EPOLBATM
SCHEMBL27869200 0.71 CSNK2A2 (0.40) ALDH1A1LMNAKDM4EPOLBATM
SCHEMBL10360804 0.70 ALDH1A1 (0.77) ALDH1A1LMNAKDM4EPOLBATM
SCHEMBL156281 0.70 ALDH1A1 (0.66) ALDH1A1LMNAKDM4EPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 — — 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ALDH1A1 1127/4885LMNA 2724/4885KDM4E 143/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ALDH1A1 235/4885LMNA 1258/4885KDM4E 52/4885

“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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