SCHEMBL20205625

SCHEMBL20205625

CC1(C)c2cc3c(cc2-c2c1cc(-c1ccc4oc5c6ccccc6ccc5c4c1)c1oc4ccccc4c21)C(C)(C)c1cc(-c2ccc4oc5c6ccccc6ccc5c4c2)c2oc4ccccc4c2c1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 7/20 0.34
▸ CYP1B1 Q16678 7/20 0.34
▸ CYP1A2 P05177 6/20 0.34
▸ ABCC1 P33527 5/20 0.34
▸ ABCG2 Q9UNQ0 5/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ ABCB1 P08183 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL20205632 0.94 PRKDC (0.36) CYP1A1CYP1B1CYP1A2ABCC1ABCG2
SCHEMBL20205388 0.92 TDP1 (0.34) CYP1A1CYP1B1CYP1A2ABCC1ABCG2
SCHEMBL20205638 0.89 TDP1 (0.37) CYP1A1CYP1A2ABCG2TDP1L3MBTL1
SCHEMBL20205459 0.88 GPR84 (0.38) CYP1A1CYP1B1CYP1A2ABCG2HPGD
SCHEMBL20205579 0.86 TDP1 (0.34) CYP1A1CYP1A2ABCG2KDM4ETDP1
SCHEMBL20205390 0.85 PRKDC (0.36) CYP1A1CYP1B1CYP1A2ABCC1ABCG2
SCHEMBL20205623 0.85 PRKDC (0.34) KDM4EMAPTHPGDALDH1A1PRKDC
SCHEMBL20205622 0.85 TDP1 (0.32) CYP1A1CYP1A2ABCG2TDP1L3MBTL1
SCHEMBL20205631 0.84 ALOX5 (0.36) CYP1A2KDM4EMAPTHPGDHSD17B10
SCHEMBL20205375 0.84 ENPP3 (0.36) CYP2C9CYP2C19ALOX5

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-11453680-B2 Bisbenzofuran-fused indeno[1,2-B]fluorene derivatives and related compounds as materials for organic electroluminescent devices (OLED) MERCK PATENT GMBH (DE) 2022-09-27 — — US disclosed
EP-3544985-B1 BISBENZOFURAN-FUSED INDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2021-05-12 — — EP disclosed
WO-2018095940-A1 BISBENZOFURAN-FUSED INDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2018-05-31 — — 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 (1 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-11453680-B2 Bisbenzofuran-fused indeno[1,2-B]fluorene derivatives and related compounds as materials for organic electroluminescent devices (OLED) OCIAD2, OCIAD1, JUND CYP1A1 366/4885CYP1B1 70/4885CYP1A2 356/4885

“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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