SCHEMBL21785833

SCHEMBL21785833

CC1(C)c2cc(Cl)ccc2-c2c1cc(-c1ccccc1)c1oc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.38
▸ CDC14B O60729 2/20 0.37
▸ CDC14A Q9UNH5 2/20 0.37
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TNKS O95271 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ 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

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
SCHEMBL20927646 0.94 CDC14B (0.35) AHRCDC14BCDC14ACA1CA2
SCHEMBL20927650 0.93 MAOB (0.35) AHRCDC14BCDC14ACA1CA2
SCHEMBL21785826 0.93 AHR (0.35) AHRCDC14BCDC14ACA1CA2
SCHEMBL20927668 0.92 AHR (0.37) AHRCDC14BCDC14ACA1CA2
SCHEMBL20927727 0.91 GPR84 (0.35) AHRCDC14BCDC14ACA1CA2
SCHEMBL20927728 0.89 GPR84 (0.33) AHRCA1CA2KMT2ATNKS
SCHEMBL20927663 0.89 PDK2 (0.34) AHRCDC14BCDC14ACA1CA2
SCHEMBL20205335 0.89 CDC14B (0.40) CDC14BCDC14ACA1CA2ADORA3
SCHEMBL20927647 0.88 NPC1 (0.36) AHRKMT2AKDM4EPOLBMAPT
SCHEMBL22859773 0.87 CDC14B (0.38) CDC14BCDC14ACA1CA2ADORA3

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 4 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
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

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 3734/4885CDC14B 4597/4885CDC14A 4518/4885
US-11578063-B2 Materials for organic electroluminescent devices GPX1, EPCAM, EFNA1 AHR 3617/4885CDC14B 4688/4885CDC14A 4632/4885
US-20220204520-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM AHR 3734/4885CDC14B 4597/4885CDC14A 4518/4885

“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