SCHEMBL17170404

SCHEMBL17170404

CCC1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.34
MTOR P42345 1/20 0.34
SSTR4 P31391 2/20 0.33
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33
TACR2 P21452 3/20 0.32
BCHE P06276 1/20 0.32
TACR1 P25103 2/20 0.32
SLC6A2 P23975 1/20 0.31
FGF1 P05230 2/20 0.31
FGF2 P09038 2/20 0.31
VEGFA P15692 2/20 0.31
HPSE Q9Y251 2/20 0.31
HTR1A P08908 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
SCHEMBL27421784 0.91 FGF1 (0.38) PDPK1MTORSSTR4SSTR1SSTR2
SCHEMBL17170426 0.89 SLC6A2 (0.39) PDPK1MTORTACR2SLC6A2
SCHEMBL15437496 0.89 SLC6A2 (0.39) PDPK1MTORTACR2SLC6A2
SCHEMBL18235714 0.88 PDPK1 (0.35) PDPK1MTORSSTR4SSTR1SSTR2
SCHEMBL18235694 0.88 PDPK1 (0.35) PDPK1MTORSSTR4SSTR1SSTR2
SCHEMBL16158811 0.88 SSTR4 (0.41) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL10314117 0.88 SSTR4 (0.41) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL19682304 0.85 PDPK1 (0.36) PDPK1MTORSSTR4SSTR1SSTR2
SCHEMBL12871695 0.84 TACR2 (0.38) PDPK1MTORSSTR4SSTR5TACR2
SCHEMBL17170392 0.83 PDPK1 (0.37) PDPK1MTORSSTR4SSTR1SSTR2

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-9975911-B2 Antibacterial compounds and biological applications thereof MUTABILIS (FR) 2018-05-22 US disclosed
US-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF LABORATOIRE BIODIM (FR) 2015-10-15 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-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF C3AR1, CFH, MSR1 PDPK1 4828/4885MTOR 2492/4885SSTR4 3191/4885

“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.