SCHEMBL16048166

SCHEMBL16048166

COc1cc(CCC(C)C)c(C=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ERN1 O75460 3/20 0.39
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKDC P78527 1/20 0.37
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
PDE4D Q08499 1/20 0.35
STING1 Q86WV6 1/20 0.34

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
SCHEMBL12035793 0.83 HMGCR (0.50) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL27002102 0.81 ALDH1A1 (0.55) ALOX5ALDH1A1KDM4ETSHRTDP1
SCHEMBL16048858 0.81 ALOX5 (0.47) ALOX5ALDH1A1KDM4ENFKB1NFKB2
SCHEMBL16048857 0.81 ALOX5 (0.47) ALOX5ALDH1A1KDM4ENFKB1NFKB2
SCHEMBL2432873 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL436131 0.73 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL2431682 0.72 PDE4D (0.39) ALOX5ALDH1A1KDM4ETSHRTDP1
SCHEMBL16047951 0.72 ALOX5 (0.42) ALOX5ALDH1A1KDM4ENFKB1NFKB2
SCHEMBL20488498 0.71 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL2915368 0.71 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 US disclosed
EP-3421458-B1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-11-11 EP disclosed
US-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-10-08 US disclosed
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-08-04 US disclosed
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2019-05-23 US disclosed
EP-3421458-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 Janssen Pharmaceutica NV (BE) 2019-01-02 EP disclosed
US-10155737-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2018-12-18 US disclosed
EP-2970157-B1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2018-04-25 EP disclosed
US-20170088531-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 US disclosed
US-9562053-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US disclosed
EP-2970157-A2 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 Janssen Pharmaceutica, N.V. (BE) 2016-01-20 EP disclosed
WO-2014159061-A2 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2014-10-02 WO disclosed
US-20140275172-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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-10155737-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885ALDH1A1 2452/4885KDM4E 3540/4885
US-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885ALDH1A1 2452/4885KDM4E 3540/4885
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885ALDH1A1 2452/4885KDM4E 3540/4885
US-20140275172-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885ALDH1A1 2452/4885KDM4E 3540/4885
US-20170088531-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885ALDH1A1 2452/4885KDM4E 3540/4885
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885ALDH1A1 2452/4885KDM4E 3540/4885
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885ALDH1A1 2452/4885KDM4E 3540/4885

“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.