SCHEMBL20927672

SCHEMBL20927672

Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5ccccc5c4)c4oc5ccccc5c4c2-3)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5ccccc5c4)c4oc5ccccc5c4c2-3)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAOB P27338 2/20 0.31
▸ TNKS O95271 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ GPR84 Q9NQS5 2/20 0.30
▸ ALK Q9UM73 2/20 0.30
▸ MTOR P42345 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
SCHEMBL22389233 0.98 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL20927659 0.95 GPR84 (0.32) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL22388862 0.95 GPR84 (0.32) CYP1A2CYP2C9GPR84ALK
SCHEMBL21785156 0.93 — —
SCHEMBL20927671 0.93 MAOB (0.34) TSHRMAOBTNKSPARP1TNKS2
SCHEMBL20927610 0.92 MAPT (0.33) ALDH1A1TSHRSMN1; SMN2MAOBTNKS
SCHEMBL20927669 0.91 CDC14B (0.34) ALDH1A1SMN1; SMN2MAOBTNKSPARP1
SCHEMBL22389060 0.90 CDC14B (0.33) CYP1A2CYP2C9ALK
SCHEMBL20927698 0.88 ALK (0.31) GPR84ALK
SCHEMBL25815417 0.88 — —

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
EP-4118697-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-01-24 — — EP disclosed
US-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-13 — — US disclosed
US-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-13 — — US disclosed
US-11578063-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 — — US disclosed
US-20200277284-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-03 — — US disclosed
WO-2019076789-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-04-25 — — 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 ALDH1A1 33/4885CYP1A2 390/4885CYP3A4 630/4885
US-11578063-B2 Materials for organic electroluminescent devices GPX1, EPCAM, EFNA1 ALDH1A1 35/4885CYP1A2 359/4885CYP3A4 494/4885
US-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES H1-0, H1-2, H1-4 ALDH1A1 157/4885CYP1A2 205/4885CYP3A4 697/4885

“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