SCHEMBL19634471

SCHEMBL19634471

C=C(CNCCCC)NC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR5 Q9H228 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
EPHX1 P07099 3/20 0.32
ALOX15 P16050 1/20 0.31
DPP4 P27487 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL18743822 0.80
SCHEMBL27439363 0.80 TSHR (0.44) TSHRALDH1A1GAAS1PR2S1PR4
SCHEMBL9704505 0.78 TSHR (0.50) TSHRALDH1A1GAAS1PR2S1PR4
SCHEMBL24927603 0.77 TSHR (0.44) TSHRALDH1A1GAAADH1BADH1C
SCHEMBL12912097 0.76
Hydrochloric Acid SCHEMBL22771816 0.74 TSHR (0.46) TSHRALDH1A1GAAS1PR2S1PR4
SCHEMBL20221221 0.74 TSHR (0.46) TSHRALDH1A1GAAS1PR2S1PR4
SCHEMBL12655404 0.73 TSHR (0.44) TSHRALDH1A1GAAS1PR2S1PR4
SCHEMBL20877608 0.73 TSHR (0.44) TSHRALDH1A1GAAS1PR2S1PR4
SCHEMBL11766195 0.73 TSHR (0.44) TSHRALDH1A1GAAS1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 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 (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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C TSHR 826/4885ALDH1A1 2768/4885GAA 597/4885

“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.