SCHEMBL19905032

SCHEMBL19905032

CCCCOCCCN(C)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.43
CES2 O00748 2/20 0.42
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.39
DNM1 Q05193 1/20 0.37
PDK2 Q15119 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL22848883 0.94 CES2 (0.50) TSHRALDH1A1CES2DNM1MEN1
SCHEMBL14557304 0.92 CES2 (0.53) TSHRCES2DNM1MEN1THRB
SCHEMBL22793905 0.92 TSHR (0.45) TSHRALDH1A1CES2ATMCYP3A4
SCHEMBL24572131 0.90 TSHR (0.43) TSHRALDH1A1CES2ATMCYP3A4
SCHEMBL24572499 0.90 TSHR (0.43) TSHRALDH1A1CES2ATMCYP3A4
SCHEMBL24848354 0.90 CES2 (0.50) TSHRALDH1A1CES2DNM1MEN1
SCHEMBL23945915 0.89 CES2 (0.53) TSHRCES2DNM1MEN1THRB
SCHEMBL14067173 0.86 ALDH1A1 (0.43) TSHRALDH1A1CES2PDK2THRB
SCHEMBL23806665 0.85 KDM5A (0.37) CES2PDK2
SCHEMBL21939061 0.84 TSHR (0.45) TSHRALDH1A1CES2PDK2MEN1

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-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2021133920-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 WO disclosed
EP-3287445-B1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO LTD (CN) 2020-04-29 EP disclosed
EP-3287445-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF Qingdao Kingagroot Chemical Compounds Co., Ltd (CN) 2018-02-28 EP 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-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF MDM2, CUL1, PSMG3 TSHR 3432/4885ALDH1A1 3843/4885CES2 3918/4885

“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.