SCHEMBL18843733

SCHEMBL18843733

CCC(C)Oc1ccc2c(c1-c1cccc3c1OCO3)OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
DRD2 P14416 3/20 0.36
DRD1 P21728 2/20 0.36
HTR7 P34969 2/20 0.34
MCHR1 Q99705 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DHODH Q02127 1/20 0.33
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 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
SCHEMBL12197451 0.87 DRD2 (0.38) AOC3DRD2DRD1HTR7HTR2A
SCHEMBL14136635 0.81 AOC3 (0.52) AOC3DRD2DRD1HTR7HTR2A
SCHEMBL12223409 0.79 KDM4E (0.44) DRD2DRD1HTR7HTR2AHTR2C
SCHEMBL20040527 0.76 DRD2 (0.37) AOC3DRD2DRD1HTR7HTR2A
SCHEMBL14125005 0.76 DRD2 (0.40) AOC3DRD2DRD1HTR7HTR2A
SCHEMBL17431881 0.75 DRD2 (0.42) AOC3DRD2DRD1MGAMAMY1A
SCHEMBL17429259 0.74 MTNR1B (0.41) AOC3DRD2DRD1ALDH1A1POLB
SCHEMBL16366159 0.71 DRD2 (0.42) DRD2DRD1MGAMAMY1AGAA
SCHEMBL12439969 0.70 DRD2 (0.38) DRD2DRD1HTR2AHTR2CDHODH
SCHEMBL14950291 0.68 AOC3 (0.44) AOC3DRD2DRD1DHODHPKM

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-9771386-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-09-26 US disclosed
US-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT 2017-05-11 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-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 AOC3 538/4885DRD2 951/4885DRD1 836/4885

“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.