SCHEMBL22623946

SCHEMBL22623946

CC(C)C[C@@H](O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ANPEP P15144 1/20 0.32
CYP2C19 P33261 1/20 0.31
MMP1 P03956 5/20 0.31
MMP3 P08254 4/20 0.31
MMP9 P14780 4/20 0.31
MMP2 P08253 3/20 0.31
MMP7 P09237 2/20 0.31
MMP8 P22894 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
MMP20 O60882 1/20 0.31
ADAMTS4 O75173 1/20 0.31
TNF P01375 1/20 0.31
MMP10 P09238 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
MMP15 P51511 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
SCHEMBL11990752 1.00 TSHR (0.50) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL13010229 1.00 TSHR (0.50) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL9960449 0.84 TSHR (0.42) TSHRMMP1MMP3MMP9
SCHEMBL12081199 0.83 TSHR (0.59) TSHRMAPK1
SCHEMBL75925 0.83 TSHR (0.59) TSHRMAPK1
SCHEMBL18574459 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1
SCHEMBL28596370 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1
SCHEMBL5907085 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1
Isopropyl Alcohol SCHEMBL3263965 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1
Isopropyl Alcohol SCHEMBL9614918 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 TSHR 3798/4885MAPK1 101/4885ALDH1A1 4108/4885

“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.