SCHEMBL18663370

SCHEMBL18663370

CCc1ccc2c(c1CC)C(I)=C(c1ccccc1)C2(OC(=O)O)OC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL18663285 0.88 CCNC (0.32) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL18663279 0.82 PDE3B (0.33) ADORA3GRM6ALDH1A1MAPTLMNA
SCHEMBL19690388 0.81 ADORA3 (0.32) ADORA3ALDH1A1MAPTHPGDTDP1
SCHEMBL18663328 0.80 SMN1; SMN2 (0.40) ALDH1A1MAPTHPGDNPC1LMNA
SCHEMBL18663413 0.77 TSHR (0.34) ALDH1A1MAPTTDP1
SCHEMBL18663372 0.76 MAPT (0.39) ALDH1A1MAPTRAB9ANPSR1
SCHEMBL19690581 0.71 MTNR1A (0.36) ALDH1A1MAPTHPGDNPC1LMNA
SCHEMBL19690582 0.70 CCNC (0.34) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL18663361 0.69 ADORA3 (0.33) ADORA3GRM6ALDH1A1MAPTHPGD
SCHEMBL18663272 0.66 FPR1 (0.35) ALDH1A1HPGD

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-20170088642-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF BEIJING LIHE TECH LTD (CN) 2017-03-30 — — US claimed
US-20170088642-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF BEIJING LIHE TECH LTD (CN) 2017-03-30 — — 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-20170088642-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF TEC, DGAT2, MOGAT2 ADORA3 4824/4885GRM6 2858/4885ALDH1A1 3281/4885

“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.

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