SCHEMBL9281110

SCHEMBL9281110

CCC(C)(C)NCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14546055 0.79 TSHR (0.32) TSHRTDP1
SCHEMBL23073838 0.77 TSHR (0.30) TSHRTDP1
SCHEMBL8330488 0.77 TSHR (0.30) TSHRTDP1
SCHEMBL20441409 0.77 ALDH1A1 (0.37) TSHRTDP1
SCHEMBL16229092 0.75 TSHR (0.41) TSHRTDP1
SCHEMBL9284655 0.75 DPP4 (0.36)
SCHEMBL9695136 0.73 TSHR (0.38) TSHRTDP1
SCHEMBL1679017 0.73
SCHEMBL11421584 0.73 TSHR (0.32) TSHRTDP1
SCHEMBL14518604 0.73 HTT (0.35)

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 10 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-20220389010-A1 Novel Triazolopyridine Derivatives and Pharmaceutical Composition Comprising Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2022-12-08 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-8883378-B2 Colored curable composition, color filter and method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-11-11 US disclosed
US-8637215-B2 Colored curable composition, color filter and method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-01-28 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20110217636-A1 COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-09-08 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 (5 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 TSHR 866/4885TDP1 1640/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 TSHR 1458/4885TDP1 2142/4885
US-20220389010-A1 Novel Triazolopyridine Derivatives and Pharmaceutical Composition Comprising Same MAPKAPK5, MAP3K1, MAP4K5 TSHR 2173/4885TDP1 619/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A TSHR 866/4885TDP1 1640/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A TSHR 866/4885TDP1 1640/4885

“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.