SCHEMBL6889907

SCHEMBL6889907

Cc1c(-c2ccccc2)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
ALOX15 P16050 2/20 0.62
BCHE P06276 1/20 0.62
PTGS2 P35354 1/20 0.62
LMNA P02545 2/20 0.60
ADORA3 P0DMS8 1/20 0.60
TSHR P16473 4/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 2/20 0.58
THRB P10828 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
CYP19A1 P11511 1/20 0.56
KDM4E B2RXH2 2/20 0.54
CYP2D6 P10635 1/20 0.54
POLB P06746 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL28914842 0.98 ALDH1A1 (0.60) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL588715 0.91 ALDH1A1 (0.68) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL28668482 0.89 ALOX15 (0.62) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL18136492 0.81 TGFBR1 (0.46) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL2449608 0.79 ALOX15 (0.68) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL25263070 0.79 CYP19A1 (0.60) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL14159232 0.79 ALOX15 (0.67) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL27660283 0.78 ALOX15 (0.66) ALDH1A1ALOX15BCHEPTGS2LMNA
Hydrochloric Acid SCHEMBL28311112 0.78 ALOX15 (0.66) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL25214418 0.78 GAA (0.62) ALDH1A1ALOX15BCHEPTGS2LMNA

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-20040186075-A1 High-energy cyclodextrin complexes LOFTSSON THORSTEINN (IS) 2004-09-23 US disclosed
US-6699849-B1 BIOAVAILABILITY CYCLOPS, EHF. (IS) 2004-03-02 US disclosed
EP-1067942-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES Cyclops, EHF. (IS) 2001-01-17 EP disclosed
WO-1999042111-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES CYCLOPS, EHF. (IS) 1999-08-26 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 (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-20040186075-A1 High-energy cyclodextrin complexes GYS2, SI, GYS1 ALDH1A1 4506/4885ALOX15 4207/4885BCHE 1616/4885

“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.