SCHEMBL9284267

SCHEMBL9284267

CCN(CC(C)(C)C)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 3/20 0.38
▸ ADH1C P00326 2/20 0.38
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ EBP Q15125 1/20 0.31
▸ LTA4H P09960 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
SCHEMBL9281135 0.98 ADH1A (0.41) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL9278394 0.98 ADH1C (0.34) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL9284811 0.91 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL8768114 0.86 CYP2D6 (0.39) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL18523207 0.83 ADH1C (0.35) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL16978934 0.82 — —
SCHEMBL9278278 0.81 ADH1A (0.44) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL383574 0.80 ADH1A (0.46) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL13683429 0.78 CYP1A2 (0.33) CYP1A2CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL20804032 0.78 ADH1A (0.36) ADH1AADH1CCYP1A2CYP2D6CYP2C19

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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 — — US disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 — — US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 — — US 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

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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A ADH1A 3385/4885ADH1C 4184/4885CYP1A2 844/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 ADH1A 4539/4885ADH1C 4692/4885CYP1A2 3991/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A ADH1A 3385/4885ADH1C 4184/4885CYP1A2 844/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A ADH1A 3385/4885ADH1C 4184/4885CYP1A2 844/4885

“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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