SCHEMBL20209983

SCHEMBL20209983

Cc1cc(C)c(N(C)c2ccc(C(C)C)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
S1PR1 P21453 1/20 0.39
DHFR P00374 1/20 0.38
PTGS1 P23219 2/20 0.38
TRPA1 O75762 1/20 0.38
CACNA1C Q13936 1/20 0.38
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA7 P36544 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TYR P14679 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL9925446 0.82 DHFR (0.42) LMNAS1PR1DHFRPTGS1TRPA1
SCHEMBL20210147 0.81 ALDH1A1 (0.50) DHFRALDH1A1MAPTTDP1CHRNA7
SCHEMBL20209986 0.80 KDM4C (0.42) LMNAS1PR1DHFRPTGS1TRPA1
SCHEMBL20210020 0.80 DHFR (0.37) LMNAS1PR1DHFRPTGS1TRPA1
SCHEMBL19618141 0.79 CHRNA7 (0.48) LMNAS1PR1DHFRALDH1A1SMN1; SMN2
SCHEMBL5431004 0.79 DHFR (0.46) LMNAS1PR1DHFRALDH1A1SMN1; SMN2
SCHEMBL20210157 0.77 S1PR1 (0.45) LMNAS1PR1DHFRPTGS1TRPA1
SCHEMBL20210299 0.77 LMNA (0.40) LMNAS1PR1DHFRPTGS1TRPA1
SCHEMBL20210298 0.76 LMNA (0.42) LMNAS1PR1DHFRPTGS1TRPA1
SCHEMBL18719354 0.75 CYP1A2 (0.40) LMNAALOX12TDP1TSHRMEN1

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-11584753-B2 Bisbenzofuran-fused 2,8-diaminoindeno[1,2-b]fluorene derivatives and related compounds as materials for organic electroluminescent devices (OLED) MERCK PATENT GMBH (DE) 2023-02-21 US disclosed
EP-3544984-B1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
US-20190315764-A1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
WO-2018095888-A1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[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 (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-20190315764-A1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) OCIAD1, OCIAD2, AOC1 LMNA 2227/4885S1PR1 2180/4885DHFR 674/4885
US-11584753-B2 Bisbenzofuran-fused 2,8-diaminoindeno[1,2-b]fluorene derivatives and related compounds as materials for organic electroluminescent devices (OLED) OCIAD1, OCIAD2, AOC1 LMNA 2227/4885S1PR1 2180/4885DHFR 674/4885

“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.