SCHEMBL17431198

SCHEMBL17431198

c1ccc2c(c1)oc1c3c(ccc12)-c1ccc2c(oc4ccccc42)c1-c1c(ccc2c1sc1ccccc12)-c1ccc2c(sc4ccccc42)c1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.40
▸ ALOX5 P09917 3/20 0.38
▸ PGR P06401 1/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ PRKDC P78527 6/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ CDC25A P30304 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CDC25C P30307 1/20 0.35
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL18566661 0.92 ESR2 (0.42) ESR2ALOX5PGRPRKDCESR1
SCHEMBL19419237 0.84 ESR2 (0.46) ESR2ALOX5PGRGPR3ESR1
SCHEMBL17689908 0.84 ESR2 (0.49) ESR2ALOX5PGRGPR3ESR1
SCHEMBL17431197 0.82 GPR3 (0.37) ESR2ALOX5GPR3PRKDCESR1
SCHEMBL17431163 0.82 ALOX5 (0.50) ALOX5PGRCDC25ACDC25BCDC25C
SCHEMBL17431156 0.82 GPR3 (0.54) ALOX5GPR3PRKDCPARP14ALDH1A1
SCHEMBL17431206 0.81 ALOX5 (0.40) ESR2ALOX5PGRGPR3ESR1
SCHEMBL17431190 0.80 AHR (0.41) ESR2ALOX5PGRGPR3PRKDC
SCHEMBL17431196 0.80 AHR (0.41) ESR2ALOX5PGRGPR3PRKDC
SCHEMBL19202425 0.80 ESR2 (0.39) ESR2ALOX5PGRGPR3PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10566546-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-02-18 — — US disclosed
US-20160013422-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-01-14 — — US disclosed
US-20160013422-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-01-14 — — 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-20160013422-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, NR4A3, OXSR1 ESR2 37/4885ALOX5 1778/4885PGR 573/4885
US-10566546-B2 Organic electroluminescent materials and devices OXER1, NR4A3, OXSR1 ESR2 37/4885ALOX5 1778/4885PGR 573/4885

“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.

Send feedback