SCHEMBL19009742

SCHEMBL19009742

c1cc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc(-c2nc3c4ccccc4c4ccccc4c3c3ccncc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 2/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
CSNK2A2 P19784 7/20 0.37
CSNK2B P67870 7/20 0.37
TNF P01375 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
HTT P42858 2/20 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
SCHEMBL19009827 0.96 CSNK2A2 (0.38) CYP11B1CYP19A1CYP11B2CYP17A1CYP1A2
SCHEMBL19009707 0.88 CYP1A2 (0.44) CYP11B1CYP19A1CYP11B2CYP17A1CYP1A2
SCHEMBL19009714 0.81 CYP1A2 (0.38) CYP11B1CYP19A1CYP11B2CYP17A1CYP1A2
SCHEMBL19009725 0.81 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009763 0.81 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17914958 0.81 ALDH1A1 (0.40) CYP19A1CSNK2A2CSNK2BTNFALDH1A1
SCHEMBL19009746 0.80 CYP11B1 (0.43) CYP11B1CYP19A1CYP11B2CYP17A1CYP1A2
SCHEMBL19009736 0.80 CYP1A2 (0.39) CYP11B1CYP19A1CYP11B2CYP17A1CYP1A2
SCHEMBL19009787 0.78 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17914959 0.77 CSNK2A2 (0.41) CYP19A1CSNK2A2CSNK2BTNFALDH1A1

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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CYP11B1 341/4885CYP19A1 65/4885CYP11B2 467/4885

“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.