SCHEMBL18729403

SCHEMBL18729403

CCCCC[C]1CCC1CCCCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SPHK1 Q9NYA1 1/20 0.31
CYP19A1 P11511 8/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL4839413 0.86 CYP1A2 (0.39) CYP1A2EPHX1ALDH1A1SPHK1CYP19A1
SCHEMBL9739568 0.81 CYP1A2 (0.48) CYP1A2NOS1NOS2
SCHEMBL27525324 0.79 NOS1 (0.38) CYP1A2EPHX1SPHK1NOS3NOS1
SCHEMBL29138923 0.78 ALDH1A1 (0.37) CYP1A2EPHX1ALDH1A1NOS3NOS1
SCHEMBL8921237 0.78 CYP1A2 (0.39) CYP1A2NOS3NOS1NOS2
SCHEMBL29138934 0.77 ALDH1A1 (0.40) CYP1A2EPHX1ALDH1A1NOS3NOS1
SCHEMBL1839528 0.76 NOS1 (0.42) CYP1A2NOS3NOS1NOS2
SCHEMBL28929087 0.76 HCAR2 (0.34) NOS3NOS1NOS2
SCHEMBL229657 0.75 GPR84 (0.50)
SCHEMBL8921496 0.75 CYP1A2 (0.45) CYP1A2ALDH1A1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058775-B2 Insulin dimer-incretin conjugates MERCK SHARP & DOHME CORP. (US) 2021-07-13 US disclosed
US-10953076-B2 Insulin receptor partial agonists and GLP-1 analogues MERCK SHARP & DOHME CORP. (US) 2021-03-23 US disclosed
US-10800827-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-10-13 US disclosed
EP-3221343-B1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
US-20190192675-A1 INSULIN DIMER-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-06-27 US disclosed
US-20190142906-A1 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-20190092833-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-03-28 US disclosed
US-10183981-B2 Insulin receptor partial agonists MERCK SHARP & DOHME LLC 2019-01-22 US disclosed
US-20180291078-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-10-11 US disclosed
US-10017556-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 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 (11 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-20180291078-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CYP1A2 3000/4885EPHX1 4596/4885ALDH1A1 4716/4885
US-10800827-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 CYP1A2 3000/4885EPHX1 4596/4885ALDH1A1 4716/4885
US-20190192675-A1 INSULIN DIMER-INCRETIN CONJUGATES IAPP, GLP1R, GIPR CYP1A2 4771/4885EPHX1 4247/4885ALDH1A1 4175/4885
US-20190092833-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CYP1A2 3000/4885EPHX1 4596/4885ALDH1A1 4716/4885
US-11058775-B2 Insulin dimer-incretin conjugates IAPP, GLP1R, GIPR CYP1A2 4771/4885EPHX1 4247/4885ALDH1A1 4175/4885
US-20190142906-A1 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES GLP1R, GIPR, IAPP CYP1A2 3156/4885EPHX1 4032/4885ALDH1A1 4707/4885
US-10953076-B2 Insulin receptor partial agonists and GLP-1 analogues GLP1R, GIPR, IAPP CYP1A2 3156/4885EPHX1 4032/4885ALDH1A1 4707/4885
US-10183981-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 CYP1A2 3000/4885EPHX1 4596/4885ALDH1A1 4716/4885
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CYP1A2 3000/4885EPHX1 4596/4885ALDH1A1 4716/4885
US-10017556-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 CYP1A2 3000/4885EPHX1 4596/4885ALDH1A1 4716/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CYP1A2 3000/4885EPHX1 4596/4885ALDH1A1 4716/4885

“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.