SCHEMBL19255880

SCHEMBL19255880

CC(C)COC(=O)C12CCC(CC1)N2C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
TSHR P16473 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL20221547 0.75 NPSR1 (0.34) LMNA
SCHEMBL19209381 0.71 CHRM2 (0.38)
SCHEMBL7458948 0.70 NPSR1 (0.34)
SCHEMBL5050871 0.70 SIGMAR1 (0.31)
SCHEMBL14961961 0.69 TSHR (0.44) RAB9ATSHRMEN1LMNACYP3A4
SCHEMBL16086745 0.69 TSHR (0.43) RAB9ATSHRMEN1LMNACYP3A4
SCHEMBL19257936 0.67 SLC6A9 (0.30)
SCHEMBL15758249 0.67 SLC6A9 (0.30)
SCHEMBL24763400 0.67 OPRM1 (0.37) RAB9ATSHRMEN1LMNACYP3A4
SCHEMBL18500648 0.67 RAB9A (0.36) RAB9ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 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-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 RAB9A 2205/4885TSHR 2105/4885MEN1 399/4885

“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.