SCHEMBL14602201

SCHEMBL14602201

CC(C)(C)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.61
CYP1B1 Q16678 1/20 0.52
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
KIF11 P52732 4/20 0.48
TSHR P16473 2/20 0.46
SCN9A Q15858 1/20 0.45
CNR1 P21554 1/20 0.42
PGR P06401 1/20 0.41
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL14666784 0.83 AKR1C2 (0.49) AHRAKR1C2AKR1C1KIF11TSHR
SCHEMBL14666771 0.83 KIF11 (0.45) AHRAKR1C2AKR1C1KIF11TSHR
SCHEMBL1622496 0.83 AKR1C2 (0.49) AHRAKR1C2AKR1C1KIF11TSHR
SCHEMBL31156291 0.83 AHR (0.58) AHRCYP1B1AKR1C2AKR1C1KIF11
SCHEMBL24126409 0.82 AKR1C2 (0.47) AKR1C2AKR1C1KIF11CNR1PGR
SCHEMBL28621673 0.82 AKR1C2 (0.47) AHRAKR1C2AKR1C1KIF11TSHR
SCHEMBL799541 0.81 TSHR (0.61) AHRKIF11TSHRLMNATYR
SCHEMBL18723875 0.79 AKR1C2 (0.49) AKR1C2AKR1C1KIF11CNR1CA12
SCHEMBL14670555 0.79 AKR1C2 (0.45) AKR1C2AKR1C1KIF11CNR1
SCHEMBL3423876 0.78 KIF11 (0.70) KIF11TSHRLMNATYRXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352321-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20190330144-A1 GLUCAGON ANTAGONISTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-10-31 US disclosed
US-20190099391-A1 Glucagon Antagonists LIGAND PHARMACEUTICALS, INC. (US) 2019-04-04 US disclosed
US-10221130-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2019-03-05 US disclosed
US-20180022695-A1 GLUCAGON ANTAGONISTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-01-25 US disclosed
US-9783494-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2017-10-10 US disclosed
US-9783494-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2017-10-10 US disclosed
US-20170216229-A1 GLUCAGON ANTAGONISTS LIGAND PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20170216229-A1 GLUCAGON ANTAGONISTS LIGAND PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20150087680-A1 GLUCAGON ANTAGONISTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-03-26 US disclosed
US-20150087680-A1 GLUCAGON ANTAGONISTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-03-26 US disclosed
US-8907103-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2014-12-09 US disclosed
US-8907103-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2014-12-09 US disclosed
US-20130030029-A1 Glucagon Antagonists METABASIS THERAPEUTICS, INC. (US) 2013-01-31 US disclosed
US-20070071667-A1 Thermal treatment of functionalized carbon nanotubes in solution to effect their functionalization WILLIAM MARSH RICE UNIVERSITY (US) 2007-03-29 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 (8 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-20130030029-A1 Glucagon Antagonists GLP1R, GCG, GCGR AHR 541/4885CYP1B1 1039/4885AKR1C2 483/4885
US-20190330144-A1 GLUCAGON ANTAGONISTS GLP1R, GCG, GCGR AHR 541/4885CYP1B1 1039/4885AKR1C2 483/4885
US-20170216229-A1 GLUCAGON ANTAGONISTS GLP1R, GCG, GCGR AHR 582/4885CYP1B1 1429/4885AKR1C2 595/4885
US-20190099391-A1 Glucagon Antagonists GLP1R, GCG, GCGR AHR 582/4885CYP1B1 1429/4885AKR1C2 595/4885
US-11352321-B2 Glucagon antagonists GLP1R, GCG, GCGR AHR 541/4885CYP1B1 1039/4885AKR1C2 483/4885
US-20150087680-A1 GLUCAGON ANTAGONISTS GLP1R, GCG, GCGR AHR 541/4885CYP1B1 1039/4885AKR1C2 483/4885
US-20180022695-A1 GLUCAGON ANTAGONISTS GLP1R, GCG, GCGR AHR 541/4885CYP1B1 1039/4885AKR1C2 483/4885
US-10221130-B2 Glucagon antagonists GLP1R, GCG, GCGR AHR 582/4885CYP1B1 1429/4885AKR1C2 595/4885

“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.