Sugi Predict

Sugi Predict / Compounds / SCHEMBL2712431

SCHEMBL2712431

SCHEMBL2712431

COc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c3c(F)cccc23)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TUBB4A P04350 6/20 0.34
▸ TUBB P07437 6/20 0.34
▸ TUBA3C P0DPH7 6/20 0.34
▸ TUBA1B P68363 6/20 0.34
▸ TUBA4A P68366 6/20 0.34
▸ TUBB4B P68371 6/20 0.34
▸ TUBB3 Q13509 6/20 0.34
▸ TUBB2A Q13885 6/20 0.34
▸ TUBB8 Q3ZCM7 6/20 0.34
▸ TUBA3E Q6PEY2 6/20 0.34
▸ TUBA1A Q71U36 6/20 0.34
▸ TUBA1C Q9BQE3 6/20 0.34
▸ TUBB6 Q9BUF5 6/20 0.34
▸ TUBB2B Q9BVA1 6/20 0.34
▸ TUBB1 Q9H4B7 6/20 0.34
▸ CYP1A2 P05177 2/20 0.33

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
SCHEMBL12086028 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL2709659 0.94 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL2711033 0.93 TUBB4A (0.31) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL12086040 0.93 TUBB4A (0.31) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL2710199 0.93 KDM4E (0.38) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL12086107 0.93 KDM4E (0.38) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL2726202 0.91 KRAS (0.32) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL2726791 0.90 TUBB4A (0.31) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL12086085 0.90 TUBB4A (0.31) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A
SCHEMBL2725609 0.90 KDM4E (0.38) ALDH1A1KDM4EMAPK1SMN1; SMN2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445987-B1 BLUE/VIOLET DIPHENYLANTHRACENE CHEMILUMINESCENT FLUORESCERS CYALUME TECH INC (US) 2018-05-02 — — EP disclosed
US-8257620-B2 Blue/violet diphenylanthracene chemiluminescent fluorescers CYALUME TECHNOLOGIES, INC. (US) 2012-09-04 — — US disclosed
EP-2445987-A1 BLUE/VIOLET DIPHENYLANTHRACENE CHEMILUMINESCENT FLUORESCERS Cyalume Technologies, Inc (US) 2012-05-02 — — EP disclosed
US-20100327240-A1 Blue/violet diphenylanthracene chemiluminescent fluorescers CYALUME TECHNOLOGIES, INC. 2010-12-30 — — US disclosed
WO-2010151654-A1 BLUE/VIOLET DIPHENYLANTHRACENE CHEMILUMINESCENT FLUORESCERS CYALUME TECHNOLOGIES, INC. (US) 2010-12-29 — — 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-20100327240-A1 Blue/violet diphenylanthracene chemiluminescent fluorescers CYP2F1, FLAD1, AFF1 ALDH1A1 34/4885KDM4E 670/4885MAPK1 1977/4885

“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.