SCHEMBL25216751

SCHEMBL25216751

COC(=O)c1ccc(C(O)CCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.58
CYP4F2 P78329 2/20 0.57
POLB P06746 1/20 0.54
MAPT P10636 2/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA7 P43166 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL3195273 0.92 CYP4A11 (0.51) CYP4A11CYP4F2POLBMAPTCA1
SCHEMBL1765662 0.87 NPC1 (0.50) CYP4A11CYP4F2MAPTCA1CA2
SCHEMBL1765677 0.85 MGLL (0.50) CYP4A11MAPTCA1CA2CA12
SCHEMBL1765629 0.85 TSHR (0.48) CYP4A11CYP4F2POLBMAPTCA1
SCHEMBL17023761 0.85 MAPT (0.49) CYP4A11CYP4F2MAPTCA1CA2
SCHEMBL11901631 0.85 SLC6A2 (0.51) MAPTCA1CA2CA12CA9
SCHEMBL14661699 0.85 SLC6A2 (0.51) MAPTCA1CA2CA12CA9
SCHEMBL1765701 0.85 SLC6A2 (0.51) MAPTCA1CA2CA12CA9
SCHEMBL4203765 0.84 CYP4A11 (0.45) CYP4A11CYP4F2POLBMAPTCA1
SCHEMBL31376526 0.84 CA1 (0.52) CYP4A11CYP4F2POLBMAPTCA1

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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 EP disclosed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 CN 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 (1 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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CYP4A11 3932/4885CYP4F2 4289/4885POLB 1943/4885

“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.