SCHEMBL512901

SCHEMBL512901

CCc1[c]c(CC)cc(-c2ccoc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.36
ADORA2A P29274 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
ERN1 O75460 5/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MAPK1 P28482 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL699229 0.74 ERN1 (0.38) ADORA2AADORA3ADORA2BERN1ALDH1A1
SCHEMBL510173 0.71 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1SLC6A4
SCHEMBL7191487 0.71 LPL (0.46) ADORA2AERN1ALDH1A1LMNACYP1A2
SCHEMBL510261 0.69 RAB9A (0.36) ADORA1ADORA3ALDH1A1
SCHEMBL1687466 0.69 LPL (0.46) ADORA1ADORA2AERN1LPLLIPG
SCHEMBL27680279 0.69 P2RY14 (0.42) ERN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL15262192 0.68 ERN1 (0.37) ERN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL512916 0.68 MAPT (0.46) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL16160786 0.68 BCL2 (0.47) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1772039 0.66 LPL (0.54) ERN1ALDH1A1LMNACYP1A2CYP3A4

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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR ADORA1 2905/4885ADORA2A 2871/4885ADORA3 3114/4885

“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.