SCHEMBL6342108

SCHEMBL6342108

COC(=O)C=Cc1cc2c(s1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ESR1 P03372 3/20 0.39
PTPN1 P18031 1/20 0.38
BCHE P06276 3/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TTR P02766 1/20 0.37
APP P05067 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6333988 0.81 KDM4E (0.39) CA12CA1CA2TYRCA7
SCHEMBL4037785 0.75 HRH4 (0.38) KDM4EKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6342107 0.74 AKR1C3 (0.41) BCHEKMT2AMAPTMEN1CYP1A2
SCHEMBL6342111 0.74 AKR1C3 (0.41) BCHEKMT2AMAPTMEN1CYP1A2
SCHEMBL12809271 0.70 CYP2A6 (0.51) CA12CA1CA2TYRCA7
SCHEMBL28874860 0.70 CYP2A6 (0.51) CA12CA1CA2TYRCA7
SCHEMBL6332106 0.68 CYP3A4 (0.39) ESR1BCHEKMT2ASMN1; SMN2MEN1
SCHEMBL6332107 0.68 CYP3A4 (0.39) ESR1BCHEKMT2ASMN1; SMN2MEN1
SCHEMBL31664971 0.65 TTR (0.42) CA12CA1CA2TYRCA7
E-Methyl Cinnamate SCHEMBL1862419 0.65 CA12 (0.69) CA12CA1CA2TYRCA7

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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 US claimed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US disclosed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US disclosed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 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 (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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A CA12 2511/4885CA1 870/4885CA2 1739/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A CA12 2119/4885CA1 817/4885CA2 1607/4885

“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.