SCHEMBL18156827

SCHEMBL18156827

OB(O)c1c2c(cc3c1oc1ccccc13)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
AHR P35869 2/20 0.35
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PRKDC P78527 2/20 0.31
DYRK1A Q13627 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
GGPS1 O95749 1/20 0.30

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
SCHEMBL18156821 0.83 ALOX5 (0.41) ALOX5AHRESR1ESR2PRKDC
SCHEMBL16855452 0.79 ALOX5 (0.36) ALOX5ESR1ESR2PRKDC
SCHEMBL19980564 0.76 ALOX5 (0.40) ALOX5AHRPRKDCDYRK1AGGPS1
SCHEMBL438640 0.76 ALOX5 (0.55) ALOX5AHRPRKDCGGPS1
SCHEMBL9109501 0.75 AHR (0.49) ALOX5AHRESR2DYRK1A
SCHEMBL17614160 0.75 ALOX5 (0.49) ALOX5AHRPRKDCGGPS1
SCHEMBL16855611 0.75 ALOX5 (0.39) ALOX5DYRK1A
SCHEMBL22011228 0.74 AHR (0.38) ALOX5AHRGGPS1
SCHEMBL18926664 0.74 ALOX5 (0.38) ALOX5AHR
SCHEMBL16491702 0.74 PGR (0.42) ALOX5AHRPRKDCDYRK1AGGPS1

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 8 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-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-11545634-B2 Heterocyclic spiro compounds MERCK PATENT GMBH (DE) 2023-01-03 US disclosed
EP-3708634-A1 HETEROCYCLIC SPIRO COMPOUNDS Merck Patent GmbH (DE) 2020-09-16 EP disclosed
US-10777750-B2 Heterocyclic spiro compounds BASF SE (DE) 2020-09-15 US disclosed
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
EP-3083880-B1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2020-04-01 EP 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 (5 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 3721/4885AHR 1148/4885ESR1 107/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 ALOX5 3721/4885AHR 1148/4885ESR1 107/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 ALOX5 3721/4885AHR 1148/4885ESR1 107/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 ALOX5 3721/4885AHR 1148/4885ESR1 107/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 ALOX5 3721/4885AHR 1148/4885ESR1 107/4885

“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.