SCHEMBL18156668

SCHEMBL18156668

Cc1ccc2c(c1)C1(c3ccccc3-c3cc4c(cc31)oc1ccccc14)c1cc(C)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
AHR P35869 3/20 0.43
PDK2 Q15119 2/20 0.40
MAOA P21397 2/20 0.40
MAPT P10636 7/20 0.40
HPGD P15428 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.37
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 3/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 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
SCHEMBL18156669 0.96 AHR (0.44) PGRAHRPDK2MAOAMAPT
SCHEMBL13467923 0.90 AHR (0.44) PGRAHRPDK2MAOAMAPT
SCHEMBL16491652 0.90 AHR (0.51) PGRAHRMAOAMAPTHPGD
SCHEMBL22930604 0.89 AHR (0.50) PGRAHRMAOAMAPTHPGD
SCHEMBL17523465 0.87 PDK2 (0.41) PGRAHRPDK2MAOAMAPT
SCHEMBL21742673 0.87 PDK2 (0.41) PGRAHRPDK2MAOAMAPT
SCHEMBL9917128 0.87 PDK2 (0.41) PGRAHRPDK2MAOAMAPT
SCHEMBL19011149 0.86 PGR (0.48) PGRAHRPDK2MAOAMAPT
SCHEMBL19394770 0.86 PGR (0.37) PGRAHRPDK2MAOAMAPT
SCHEMBL16491690 0.85 AHR (0.53) PGRAHRMAOAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 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 (2 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-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 PGR 1584/4885AHR 1148/4885PDK2 264/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 PGR 1584/4885AHR 1148/4885PDK2 264/4885

“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.