SCHEMBL23925707

SCHEMBL23925707

O=c1occc(-c2ccccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HNF4A P41235 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.40
MAOB P27338 2/20 0.40

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
SCHEMBL25372606 0.82 LMNA (0.44) HDAC4HDAC2HDAC8HDAC6ADORA3
Ammonia Solution, Strong SCHEMBL27829594 0.80 LMNA (0.43) HDAC4HDAC2HDAC8HDAC6ADORA3
SCHEMBL28190794 0.76 KDM4E (0.48) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL311581 0.76 CTRC (0.40) HDAC4HDAC2HDAC8HDAC6ADORA3
SCHEMBL31412182 0.74 BACE1 (0.48) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL28218019 0.73 HDAC4 (0.50) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL812897 0.72 CTRC (0.48) HDAC4HDAC2HDAC8HDAC6ALOX15
SCHEMBL7965216 0.72 CTRC (0.37) HDAC4HDAC2HDAC8HDAC6ADORA3
SCHEMBL346072 0.71 MAOB (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3976573 0.70 HDAC4 (0.61) HDAC4HDAC2HDAC8HDAC6HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 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 (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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 HDAC4 506/4885HDAC2 715/4885HDAC8 2282/4885

“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.