SCHEMBL16048858

SCHEMBL16048858

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
KDM4E B2RXH2 7/20 0.44
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL16048857 1.00 ALOX5 (0.47) ALOX5CA12CA1CA2CA4
SCHEMBL2431621 0.84 KDM4E (0.46) ALOX5CA12CA1CA2CA4
SCHEMBL2431622 0.84 KDM4E (0.46) ALOX5CA12CA1CA2CA4
SCHEMBL16048166 0.81 ALOX5 (0.41) ALOX5KDM4EALDH1A1HPGDNFKB1
SCHEMBL196086 0.78 PTGER4 (0.48) ALOX5CA12CA1CA2CA4
SCHEMBL290383 0.78 PTGER4 (0.48) ALOX5CA12CA1CA2CA4
SCHEMBL1167770 0.77 KDM4E (0.51) ALOX5CA12CA1CA2CA4
SCHEMBL12473727 0.77 KDM4E (0.51) ALOX5CA12CA1CA2CA4
SCHEMBL1167772 0.77 KDM4E (0.51) ALOX5CA12CA1CA2CA4
SCHEMBL2290706 0.76 ALOX5 (0.43) ALOX5CA12CA1CA2CA4

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 1416/4885CA12 4456/4885CA1 4805/4885
US-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885CA12 4456/4885CA1 4805/4885
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885CA12 4456/4885CA1 4805/4885
US-20140275172-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885CA12 4456/4885CA1 4805/4885
US-20170088531-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885CA12 4456/4885CA1 4805/4885
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885CA12 4456/4885CA1 4805/4885
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 ALOX5 1416/4885CA12 4456/4885CA1 4805/4885

“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.