SCHEMBL5474574

SCHEMBL5474574

c1ccc(-c2ccccc2-c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.48
ACMSD Q8TDX5 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
TNF P01375 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL28537602 0.97 MCL1 (0.50) MCL1ACMSDCA12CA1CA2
SCHEMBL29770877 0.95 MCL1 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL29770868 0.95 MCL1 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL3918963 0.95 MCL1 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL22345763 0.95 MCL1 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL23702391 0.95 MCL1 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL29771062 0.93 MCL1 (0.48) MCL1ACMSDCA12CA1CA2
SCHEMBL29770947 0.93 MCL1 (0.48) MCL1ACMSDCA12CA1CA2
SCHEMBL23813384 0.93 MCL1 (0.48) MCL1ACMSDCA12CA1CA2
SCHEMBL29295440 0.93 CA12 (0.54) MCL1ACMSDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070106103-A1 Aromatic compound and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-10 US disclosed
EP-1695952-A1 AROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-08-30 EP 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-20070106103-A1 Aromatic compound and organic electroluminescent device using same ETV6, TCF4, OR10J3 MCL1 2894/4885ACMSD 2193/4885CA12 2657/4885

“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.