SCHEMBL13082953

SCHEMBL13082953

CCN(CC1CC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 4/20 0.42
▸ ADH1C P00326 3/20 0.42
▸ LTA4H P09960 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ EBP Q15125 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ PHGDH O43175 1/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL18602764 0.95 ADH1C (0.35) ADH1AADH1CLTA4HALOX5
SCHEMBL11638870 0.88 SLC6A2 (0.30) ALOX5SLC6A2SLC6A4
SCHEMBL12449085 0.85 LTA4H (0.38) ADH1AADH1CLTA4HCYP1A2ALOX5
SCHEMBL24079843 0.85 MEN1 (0.33) ADH1AADH1CMEN1KMT2A
SCHEMBL612572 0.83 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL24080142 0.83 LTA4H (0.36) ADH1AADH1CLTA4HALOX5SLC6A2
SCHEMBL613463 0.83 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL28388990 0.83 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL23073672 0.83 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL356022 0.83 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1

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
WO-2018045084-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. (US) 2018-03-08 — — WO disclosed
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 — — EP disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 — — US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 — — US disclosed
WO-2010129057-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 — — 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-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A ADH1A 3385/4885ADH1C 4184/4885LTA4H 3553/4885

“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.

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