SCHEMBL18156670

SCHEMBL18156670

Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2ccc3c(oc4ccccc43)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
PDK2 Q15119 2/20 0.40
PGR P06401 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKDC P78527 3/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
AHR P35869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL17879493 0.89 ALOX5 (0.49) ALOX5PGRMAOAMEN1CYP2C19
SCHEMBL18156666 0.86 PGR (0.40) ALOX5PDK2PGRMAOBMAOA
SCHEMBL21742672 0.86 ALOX5 (0.52) ALOX5PDK2PGRMAOBMAOA
SCHEMBL9917134 0.86 ALOX5 (0.52) ALOX5PDK2PGRMAOBMAOA
SCHEMBL22930610 0.86 ALOX5 (0.47) ALOX5PGRMAOAMEN1CYP2C19
SCHEMBL18156667 0.84 PDK2 (0.40) ALOX5PDK2PGRMAOBMAOA
SCHEMBL14174183 0.84 KMT2A (0.48) ALOX5PDK2MEN1KMT2APRKDC
SCHEMBL22146709 0.84 ALOX5 (0.47) ALOX5PDK2MAOBMAOAESR1
SCHEMBL20224549 0.83 ALOX5 (0.43) ALOX5PDK2PRKDCTNKSAHR
SCHEMBL20224551 0.83 ALOX5 (0.43) ALOX5PDK2PRKDCTNKSAHR

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 ALOX5 3721/4885PDK2 264/4885PGR 1584/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 ALOX5 3721/4885PDK2 264/4885PGR 1584/4885

“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.