SCHEMBL12418686

SCHEMBL12418686

CC(C)C(=O)c1ccc2cc(C(=O)C(C)C)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
GAA P10253 2/20 0.63
DBH P09172 1/20 0.63
RECQL P46063 1/20 0.63
ALDH1A1 P00352 2/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HTR1B P28222 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
LCK P06239 1/20 0.42
CYP2A6 P11509 1/20 0.41
ELANE P08246 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL759389 0.92 CES2 (0.61) KDM4EGAADBHRECQLALDH1A1
SCHEMBL19090508 0.92 KDM4E (0.55) KDM4EGAADBHRECQLALDH1A1
SCHEMBL3260971 0.90 CYP2A6 (0.56) KDM4EGAADBHRECQLALDH1A1
SCHEMBL16811768 0.90 ALDH1A1 (0.54) KDM4EGAADBHRECQLALDH1A1
SCHEMBL8745697 0.90 KDM4E (0.53) KDM4EGAADBHRECQLALDH1A1
SCHEMBL5020197 0.90 KDM4E (0.69) KDM4EGAADBHRECQLALDH1A1
SCHEMBL12317627 0.90 KDM4E (0.58) KDM4EGAADBHRECQLALDH1A1
SCHEMBL10458095 0.88 KDM4E (0.52) KDM4EGAADBHRECQLALDH1A1
SCHEMBL16346363 0.87 KDM4E (0.66) KDM4EGAADBHRECQLALDH1A1
SCHEMBL22182886 0.87 KMT2A (0.55) KDM4EGAADBHRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230541-A1 PIPERAZINE DERIVATIVES USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2023-11-30 WO disclosed
US-20210283265-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-09-16 US disclosed
US-20170190832-A1 THERMOPLASTIC AROMATIC POLYESTERS COMPRISING TETRAHYDROFURAN-DIMETHANOL MOTIFS ROQUETTE FRERES (FR) 2017-07-06 US disclosed
US-20170190832-A1 THERMOPLASTIC AROMATIC POLYESTERS COMPRISING TETRAHYDROFURAN-DIMETHANOL MOTIFS ROQUETTE FRERES (FR) 2017-07-06 US disclosed
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-07-14 US disclosed
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-07-14 US disclosed
US-20100203012-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-08-12 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 (3 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-20100203012-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 KDM4E 4223/4885GAA 2614/4885DBH 4079/4885
US-20210283265-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 KDM4E 2603/4885GAA 66/4885DBH 1316/4885
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC7 KDM4E 3173/4885GAA 3941/4885DBH 2518/4885

“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.