SCHEMBL16439209

SCHEMBL16439209

O=CC1=C(c2ccccc2)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGF23 Q9GZV9 3/20 0.55
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 2/20 0.40
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
GSR P00390 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3378277 0.98 FGF23 (0.53) FGF23PTGS2SLC6A3CFTRGOPC
SCHEMBL1700335 0.80 SLC6A3 (0.46) FGF23PTGS2SLC6A3SLC6A2ALDH1A1
SCHEMBL16439215 0.80 MAPK14 (0.47) FGF23PTGS2SLC6A3ALDH1A1KDM4E
SCHEMBL17460574 0.80 PTGS2 (0.47) FGF23PTGS2SLC6A3ALDH1A1CYP2A6
SCHEMBL1957404 0.79 SLC6A3 (0.47) FGF23PTGS2SLC6A3SLC6A2ALDH1A1
SCHEMBL1957401 0.79 SLC6A3 (0.47) FGF23PTGS2SLC6A3SLC6A2ALDH1A1
SCHEMBL1956409 0.79 SLC6A3 (0.47) FGF23PTGS2SLC6A3SLC6A2ALDH1A1
SCHEMBL15171504 0.78 CHRNB4 (0.49) FGF23SLC6A3SLC6A2CHRNB4CHRNA3
SCHEMBL11844479 0.77 SLC6A3 (0.31) SLC6A3
SCHEMBL8653245 0.77 PTGS2 (0.54) FGF23PTGS2SLC6A3CFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
WO-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 WO disclosed
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-11-02 US disclosed
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF NATIONAL GUARD HEALTH AFFAIRS (SA) 2020-09-17 US disclosed
EP-3172185-B1 SUBSTITUTED PHENYL ALKANOIC ACID COMPOUNDS AS GPR120 AGONISTS AND USES THEREOF PIRAMAL ENTPR LTD (IN) 2020-03-04 EP disclosed
US-10273230-B2 Substituted phenyl alkanoic acid compounds as GPR120 agonists and uses thereof Piramal Enterprises Limited (IN) 2019-04-30 US disclosed
US-9745240-B2 Metal free process for allylic oxidation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-08-29 US disclosed
US-9745240-B2 Metal free process for allylic oxidation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-08-29 US disclosed
US-20170210731-A1 SUBSTITUTED PHENYL ALKANOIC ACID COMPOUNDS AS GPR120 AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2017-07-27 US disclosed
EP-3172185-A2 SUBSTITUTED PHENYL ALKANOIC ACID COMPOUNDS AS GPR120 AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2017-05-31 EP disclosed
US-20160159717-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-09 US disclosed
US-20160159717-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-09 US disclosed
WO-2016012965-A2 SUBSTITUTED PHENYL ALKANOIC ACID COMPOUNDS AS GPR120 AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2016-01-28 WO disclosed
WO-2015015511-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-05 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 (6 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-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 FGF23 2301/4885PTGS2 431/4885SLC6A3 4730/4885
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof PDK1, PDHA1, PDHA2 FGF23 2770/4885PTGS2 2444/4885SLC6A3 3805/4885
US-20160159717-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION NFE2L2, PPOX, NOX4 FGF23 4488/4885PTGS2 76/4885SLC6A3 3198/4885
US-20170210731-A1 SUBSTITUTED PHENYL ALKANOIC ACID COMPOUNDS AS GPR120 AGONISTS AND USES THEREOF FFAR1, FFAR3, GPR55 FGF23 1673/4885PTGS2 679/4885SLC6A3 728/4885
US-10273230-B2 Substituted phenyl alkanoic acid compounds as GPR120 agonists and uses thereof FFAR1, FFAR3, GPR55 FGF23 1673/4885PTGS2 679/4885SLC6A3 728/4885
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF PDK1, PDHA1, PDHA2 FGF23 2770/4885PTGS2 2444/4885SLC6A3 3805/4885

“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.