SCHEMBL507732

SCHEMBL507732

CC(C)C(C)(C)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.50
SRC P12931 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MLYCD O95822 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL1645556 0.85 CES1 (0.48) CES1SRCTDP1L3MBTL1PGR
SCHEMBL9850554 0.83 SRC (0.47) CES1SRCTDP1L3MBTL1PGR
SCHEMBL28358545 0.83 CES1 (0.50) CES1SRCTDP1L3MBTL1PGR
SCHEMBL8463346 0.83 CES1 (0.50) CES1SRCTDP1L3MBTL1PGR
SCHEMBL6699073 0.83 CES1 (0.50) CES1SRCTDP1L3MBTL1PGR
SCHEMBL3003271 0.80 CES1 (0.52) CES1SRCTDP1L3MBTL1PGR
SCHEMBL23571738 0.79 HDAC1 (0.52) TDP1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL28567881 0.79 CES1 (0.52) CES1SRCTDP1L3MBTL1LMNA
SCHEMBL10493250 0.79 CYP1A2 (0.48) CES1SRCTDP1L3MBTL1KCNH2
SCHEMBL27384600 0.78 CES1 (0.50) CES1SRCTDP1L3MBTL1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3697878-B1 USE OF ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR AND COMPANY LTD (IN) 2026-01-28 EP claimed
US-20210207059-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2021-07-08 US claimed
EP-3697878-B1 USE OF ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR AND COMPANY LTD (IN) 2026-01-28 EP disclosed
US-11549079-B2 Odorants and compositions comprising odorants S H KELKAR & COMPANY LIMITED 2023-01-10 US disclosed
US-11549079-B2 Odorants and compositions comprising odorants S H KELKAR & COMPANY LIMITED 2023-01-10 US disclosed
US-11447715-B2 Odorants and compositions comprising odorants S H KELKAR & COMPANY LIMITED 2022-09-20 US disclosed
US-20210207059-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2021-07-08 US disclosed
US-20210207059-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2021-07-08 US disclosed
US-20200299611-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2020-09-24 US disclosed
US-20200299611-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2020-09-24 US disclosed
WO-2019076933-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2019-04-25 WO disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-6469041-B2 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-10-22 US disclosed
US-20020042422-A1 Certain pyrazole derivatives as corticotropin-releasing factor CRF1 ligands NEUROGEN CORPORATION 2002-04-11 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 (7 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-20210207059-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS DEK, OR10J3, THOC2 CES1 3123/4885SRC 4665/4885TDP1 3576/4885
US-20200299611-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS DEK, CAT, TAS2R41 CES1 1806/4885SRC 4407/4885TDP1 3084/4885
US-11549079-B2 Odorants and compositions comprising odorants DEK, CAT, TAS2R41 CES1 1806/4885SRC 4407/4885TDP1 3084/4885
US-11447715-B2 Odorants and compositions comprising odorants DEK, OR10J3, THOC2 CES1 3123/4885SRC 4665/4885TDP1 3576/4885
US-20020042422-A1 Certain pyrazole derivatives as corticotropin-releasing factor CRF1 ligands CRH, CRHR1, CRHR2 CES1 1891/4885SRC 1349/4885TDP1 3072/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CES1 2224/4885SRC 2520/4885TDP1 4109/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CES1 1672/4885SRC 2894/4885TDP1 4837/4885

“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.