SCHEMBL13699194

SCHEMBL13699194

CCCOCCc1ccc2nc(N)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.46
TUBB P07437 5/20 0.46
TUBA3C P0DPH7 5/20 0.46
TUBA1B P68363 5/20 0.46
TUBA4A P68366 5/20 0.46
TUBB4B P68371 5/20 0.46
TUBB3 Q13509 5/20 0.46
TUBB2A Q13885 5/20 0.46
TUBB8 Q3ZCM7 5/20 0.46
TUBA3E Q6PEY2 5/20 0.46
TUBA1A Q71U36 5/20 0.46
TUBA1C Q9BQE3 5/20 0.46
TUBB6 Q9BUF5 5/20 0.46
TUBB2B Q9BVA1 5/20 0.46
TUBB1 Q9H4B7 5/20 0.46
S1PR4 O95977 3/20 0.45
S1PR1 P21453 3/20 0.45
S1PR5 Q9H228 3/20 0.45
PLAU P00749 1/20 0.45
HTR3E A5X5Y0 1/20 0.45

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
SCHEMBL13699070 0.85 PLAU (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5924403 0.85 BACE1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3500728 0.82 S1PR4 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL240221 0.79 TYMS (0.60) S1PR4S1PR1S1PR5PLAUHTR3E
SCHEMBL12686275 0.74 PLAU (0.58) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL4779966 0.74 TYMS (0.55) S1PR4S1PR1S1PR5PLAUHTR3E
SCHEMBL5679917 0.73 FABP6 (0.47) S1PR4S1PR1S1PR5PLAUHTR3E
Hydrochloric Acid SCHEMBL23201245 0.72 PLAU (0.56) PLAUHTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL30882573 0.72 PLAU (0.56) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL727388 0.72 PLAU (0.61) S1PR4S1PR1S1PR5PLAUHTR3E

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
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
WO-2008019240-A2 3, 6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2007044927-A2 6, 11-BRIDGED TRICYCLIC MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 TUBB4A 2596/4885TUBB 2266/4885TUBA3C 1749/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 TUBB4A 897/4885TUBB 816/4885TUBA3C 329/4885

“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.