SCHEMBL3682541

SCHEMBL3682541

CC1CC2CCCCC2(C)C(=O)C1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL17394846 0.79
SCHEMBL10646120 0.76 CYP19A1 (0.43) CYP19A1LMNATSHRCYP1B1
SCHEMBL9418499 0.74 CYP19A1 (0.40) CYP19A1MEN1KMT2ALMNATSHR
SCHEMBL4166949 0.74 KMT2A (0.41) CYP19A1MEN1KMT2ALMNATSHR
SCHEMBL9418494 0.74 CYP19A1 (0.40) CYP19A1MEN1KMT2ALMNATSHR
SCHEMBL8831809 0.69 CYP19A1 (0.31) CYP19A1LMNATSHR
SCHEMBL21544609 0.69 CYP19A1 (0.33) CYP19A1MEN1KMT2ALMNATSHR
SCHEMBL15308966 0.69 LMNA (0.38) CYP19A1MEN1KMT2ALMNATSHR
SCHEMBL13261222 0.66 CYP19A1 (0.53) CYP19A1LMNATSHR
SCHEMBL178322 0.66 CYP19A1 (0.53) CYP19A1LMNATSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475256-B1 DEHYDROGENATION REACTION FIRMENICH & CIE (CH) 2024-01-24 EP claimed
CN-109415293-B Dehydrogenation reaction 弗门尼舍有限公司 2022-08-02 CN claimed
US-10899694-B2 Dehydrogenation reaction FIRMENICH SA (CH) 2021-01-26 US claimed
US-20190345088-A1 DEHYDROGENATION REACTION FIRMENICH SA (CH) 2019-11-14 US claimed
EP-1926698-B1 ALPHA-DECALONES WITH DAMASCONE-WOODY ODOR FIRMENICH & CIE (CH) 2016-03-09 EP claimed
US-7704933-B2 α-Decalones with damascone-woody odor FIRMENICH SA (CH) 2010-04-27 US claimed
US-20080214433-A1 Alpha-Decalones with Damascone-Woody Odor FIREMENICH SA (CH) 2008-09-04 US claimed
EP-1926698-A1 ALPHA-DECALONES WITH DAMASCONE-WOODY ODOR FIRMENICH SA (CH) 2008-06-04 EP claimed
WO-2007031904-A1 ALPHA-DECALONES WITH DAMASCONE-WOODY ODOR FIRMENICH SA (CH) 2007-03-22 WO claimed
EP-3475256-B1 DEHYDROGENATION REACTION FIRMENICH & CIE (CH) 2024-01-24 EP disclosed
EP-3475256-B1 DEHYDROGENATION REACTION FIRMENICH & CIE (CH) 2024-01-24 EP disclosed
CN-109415293-B Dehydrogenation reaction 弗门尼舍有限公司 2022-08-02 CN disclosed
EP-3164377-B1 PRINS REACTION ON HINDERED SUBSTRATES FIRMENICH & CIE (CH) 2022-06-08 EP disclosed
US-10899694-B2 Dehydrogenation reaction FIRMENICH SA (CH) 2021-01-26 US disclosed
EP-1926698-B1 ALPHA-DECALONES WITH DAMASCONE-WOODY ODOR FIRMENICH & CIE (CH) 2016-03-09 EP disclosed
WO-2016001286-A1 PRINS REACTION ON HINDERED SUBSTRATES FIRMENICH SA (CH) 2016-01-07 WO disclosed
US-7704933-B2 α-Decalones with damascone-woody odor FIRMENICH SA (CH) 2010-04-27 US disclosed
US-20080214433-A1 Alpha-Decalones with Damascone-Woody Odor FIREMENICH SA (CH) 2008-09-04 US disclosed
EP-1926698-A1 ALPHA-DECALONES WITH DAMASCONE-WOODY ODOR FIRMENICH SA (CH) 2008-06-04 EP disclosed
WO-2007031904-A1 ALPHA-DECALONES WITH DAMASCONE-WOODY ODOR FIRMENICH SA (CH) 2007-03-22 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 (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-10899694-B2 Dehydrogenation reaction PDK3, PDK2, PDHA1 CYP19A1 185/4885MEN1 789/4885KMT2A 2831/4885
US-20190345088-A1 DEHYDROGENATION REACTION PDK3, PDK2, PDHA1 CYP19A1 185/4885MEN1 789/4885KMT2A 2831/4885
US-20080214433-A1 Alpha-Decalones with Damascone-Woody Odor DPM1, DAD1, DECR1 CYP19A1 2761/4885MEN1 3439/4885KMT2A 2048/4885

“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.