SCHEMBL19110102

SCHEMBL19110102

C=CCCc1coc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.46
▸ CA2 P00918 1/20 0.44
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ CYP17A1 P05093 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ IL4I1 Q96RQ9 1/20 0.38

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
SCHEMBL6590449 0.82 MAOB (0.50) MAOBCA2HDAC3HDAC4HDAC1
SCHEMBL13134181 0.81 MAOB (0.49) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL7360353 0.79 MAOB (0.50) MAOBCA2HDAC3HDAC4HDAC1
SCHEMBL6002749 0.76 MAOB (0.47) MAOBCA2HDAC3HDAC4HDAC1
SCHEMBL1252500 0.76 CA2 (0.51) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL2095984 0.76 MAOB (0.55) MAOBCA2HDAC3HDAC4HDAC1
SCHEMBL734528 0.76 MAOB (0.50) MAOBCA2HDAC3HDAC4HDAC1
SCHEMBL735027 0.76 MAOB (0.59) MAOBCA2HDAC3HDAC4HDAC1
SCHEMBL734287 0.76 MAOB (0.50) MAOBCA2HDAC3HDAC4HDAC1
SCHEMBL30396397 0.76 HTR1D (0.53) MAOBCA2CYP17A1CYP19A1CYP11B1

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-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-13 — — US disclosed
US-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-13 — — 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-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 MAOB 2956/4885CA2 2870/4885HDAC3 2725/4885

“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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