SCHEMBL18092986

SCHEMBL18092986

CC[C@H](C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPA1 O75762 1/20 0.42
PTGS2 P35354 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
SCHEMBL8729744 1.00 HDAC4 (0.51) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL198138 0.94 HDAC4 (0.56) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL17973756 0.88 HDAC4 (0.43) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL9656296 0.85 PTGS2 (0.48) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL8419562 0.85 CYP17A1 (0.50) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL16629816 0.83 HDAC4 (0.47) HDAC4HDAC2HDAC8TAAR1ALDH1A1
SCHEMBL1006801 0.83 HDAC4 (0.62) HDAC4HDAC2HDAC8TAAR1LMNA
SCHEMBL6248963 0.82 TAAR1 (0.67) RXRARXRBRXRGCTSLCTSS
SCHEMBL17973741 0.81 HDAC4 (0.43) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL17973754 0.81 HDAC4 (0.43) HDAC4HDAC2HDAC8RXRARXRB

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
EP-3063154-B1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS UNIV ILLINOIS (US) 2023-08-30 EP disclosed
US-10072028-B2 Cross-coupling of unactivated secondary boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-09-11 US disclosed
US-20160280721-A1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2016-09-29 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-20160280721-A1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS BOLA2; BOLA2B, BLVRB, CD79B HDAC4 4110/4885HDAC2 3208/4885HDAC8 3868/4885
US-10072028-B2 Cross-coupling of unactivated secondary boronic acids BOLA2; BOLA2B, BLVRB, CD79B HDAC4 4110/4885HDAC2 3208/4885HDAC8 3868/4885

“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.