SCHEMBL21785826

SCHEMBL21785826

CC1(C)c2cc(Cl)ccc2-c2c1cc(-c1cccc(-c3ccccc3)c1)c1oc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.35
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34
▸ GABRQ Q9UN88 1/20 0.34
▸ PGR P06401 2/20 0.33
▸ CDC14B O60729 1/20 0.33
▸ CDC14A Q9UNH5 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
SCHEMBL21785833 0.93 AHR (0.38) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL20205333 0.90 PLA2G2A (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20927663 0.90 PDK2 (0.34) AHRPGRCDC14BCDC14ACA1
SCHEMBL20927646 0.88 CDC14B (0.35) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL20927728 0.88 GPR84 (0.33) AHRCA1CA2TNKSALOX5
SCHEMBL20927650 0.87 MAOB (0.35) AHRPGRCDC14BCDC14ACA1
SCHEMBL20205659 0.87 PLA2G2A (0.36) PGRCDC14BCDC14APLA2G2APLA2G4A
SCHEMBL23351982 0.87 CDC14B (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20205323 0.86 PLA2G2A (0.34) PGRCDC14BCDC14APLA2G2APLA2G4A
SCHEMBL20927668 0.86 AHR (0.37) AHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578063-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 — — US disclosed
US-20220204520-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-30 — — US disclosed
EP-3844243-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-22 — — EP disclosed
US-20200277284-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-03 — — US disclosed
WO-2020043657-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-03-05 — — WO disclosed
WO-2020043646-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-03-05 — — WO 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 (3 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-20200277284-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM AHR 3734/4885GABRP 4602/4885GABRD 4593/4885
US-11578063-B2 Materials for organic electroluminescent devices GPX1, EPCAM, EFNA1 AHR 3617/4885GABRP 4690/4885GABRD 4713/4885
US-20220204520-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM AHR 3734/4885GABRP 4602/4885GABRD 4593/4885

“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.

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