Sugi Predict

Sugi Predict / Compounds / SCHEMBL7115389

SCHEMBL7115389

SCHEMBL7115389

COc1ccc(C2(c3ccc(N4CCCC4)cc3)C=Cc3c(CO)cc4c(OC)c5c(cc4c3O2)OCO5)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GFER P55789 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EDNRB P24530 2/20 0.33
▸ EDNRA P25101 2/20 0.33
▸ MAPT P10636 6/20 0.33
▸ LMNA P02545 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ P4HB P07237 1/20 0.32
▸ SMAD3 P84022 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9943031 0.94 MEN1 (0.36) KMT2AMEN1SMN1; SMN2EDNRBEDNRA
SCHEMBL9928123 0.92 BRAF (0.35) KMT2AGFERSMN1; SMN2EDNRBEDNRA
SCHEMBL10081334 0.91 KMT2A (0.33) KMT2AMEN1GFERSMN1; SMN2EDNRB
SCHEMBL7119860 0.87 TARBP2 (0.37) KMT2AMEN1GFERSMN1; SMN2EDNRB
SCHEMBL9928169 0.82 GAA (0.31) —
SCHEMBL9928122 0.80 MAPT (0.32) KMT2AGFERMAPTLMNANPC1
SCHEMBL891177 0.76 MAPT (0.32) KMT2AMEN1SMN1; SMN2EDNRBEDNRA
SCHEMBL6479062 0.74 ALDH1A1 (0.34) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL12377285 0.73 BRAF (0.37) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL13726047 0.72 BRAF (0.37) KMT2AMEN1SMN1; SMN2EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270071-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2012-10-25 — — US disclosed
US-20120161089-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120145974-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2012-06-14 — — US disclosed
US-6608215-B2 Photochromic ophthalmic or sun protection lenses, glass paneling VISION-EASE LENS, INC. 2003-08-19 — — US disclosed
US-20030092918-A1 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LENS, INC. 2003-05-15 — — US disclosed
WO-2003025638-A1 OXYGEN-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS VISION-EASE LENS, INC. (US) 2003-03-27 — — 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 (4 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-20120145974-A1 CHROMENE COMPOUND CRY2, CYP2J2, NR0B2 KMT2A 1418/4885MEN1 2833/4885GFER 1155/4885
US-20030092918-A1 Oxygen-containing heterocyclic fused naphthopyrans NQO1, NFE2L2, NDUFV2 KMT2A 2647/4885MEN1 2476/4885GFER 351/4885
US-20120270071-A1 CHROMENE COMPOUND NR0B2, NR2C2, NR0B1 KMT2A 2211/4885MEN1 521/4885GFER 4314/4885
US-20120161089-A1 CHROMENE COMPOUND CYP8B1, HSD3B2, CYP17A1 KMT2A 2739/4885MEN1 401/4885GFER 4662/4885

“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.