SCHEMBL18790627

SCHEMBL18790627

C=CC[C@]1(O[Si](C)(C)C(C)(C)C)CC[C@H](c2ccccc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
DRD2 P14416 1/20 0.32
TACR1 P25103 1/20 0.32
TRPA1 O75762 1/20 0.31
SLC18A3 Q16572 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
IDO1 P14902 1/20 0.30
TOP2A P11388 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
TSHR P16473 1/20 0.30
GRM2 Q14416 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1B P35368 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
SCHEMBL18763685 1.00 ALDH1A1 (0.32) ALDH1A1MAPTDRD2TACR1TRPA1
SCHEMBL17327339 1.00 ALDH1A1 (0.32) ALDH1A1MAPTDRD2TACR1TRPA1
SCHEMBL18763674 0.87 ALDH1A1 (0.34) ALDH1A1MAPTDRD2TACR1TRPA1
SCHEMBL17327314 0.87 ALDH1A1 (0.34) ALDH1A1MAPTDRD2TACR1TRPA1
SCHEMBL18763672 0.87 ALDH1A1 (0.34) ALDH1A1MAPTDRD2TACR1TRPA1
SCHEMBL17327313 0.80 ALDH1A1 (0.39) ALDH1A1MAPTTRPA1SLC18A3SIGMAR1
SCHEMBL18763714 0.80 ALDH1A1 (0.39) ALDH1A1MAPTTRPA1SLC18A3SIGMAR1
SCHEMBL17327425 0.80 ALDH1A1 (0.39) ALDH1A1MAPTTRPA1SLC18A3SIGMAR1
SCHEMBL924607 0.76
SCHEMBL1141103 0.74

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-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 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-20170112785-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ALDH1A1 219/4885MAPT 2758/4885DRD2 2086/4885

“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.