SCHEMBL6864210

SCHEMBL6864210

CC1CC[C@H](C)N1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
ALOX5 P09917 3/20 0.39
ACHE P22303 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC18A3 Q16572 1/20 0.38
GRIN2B Q13224 1/20 0.37
OPRM1 P35372 2/20 0.37
MAPK1 P28482 1/20 0.37
MGLL Q99685 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6864215 1.00 FFAR1 (0.41) FFAR1L3MBTL1GAAG6PDALOX5
SCHEMBL16208034 0.91 ACHE (0.48) FFAR1L3MBTL1GAAG6PDALOX5
SCHEMBL11724743 0.82 ALDH1A1 (0.48) FFAR1L3MBTL1GAAMEN1KMT2A
SCHEMBL29327306 0.79 HTR2C (0.51) L3MBTL1GAAG6PDALOX5
SCHEMBL7041363 0.78 ACHE (0.40) FFAR1L3MBTL1GAAALOX5ACHE
Hydrochloric Acid SCHEMBL18043605 0.78 HTR2C (0.50) L3MBTL1GAAG6PDALOX5
SCHEMBL19852389 0.78 FFAR1 (0.47) FFAR1OPRM1MAPK1
SCHEMBL9507055 0.76 CHKA (0.41) L3MBTL1GAAUSP2MAPT
SCHEMBL6757668 0.76 AR (0.33) FFAR1
SCHEMBL5557815 0.76 ALDH1A1 (0.42) FFAR1L3MBTL1GAAACHESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716984-B2 CONTACTING PHOSPHINE COMPOUND OFTHE FORMULA XPR1R2, WHEREIN X IS A HALOGEN, WITH THE SOLID SUPPORT, RESULTING IN THE P IN THE PHOSPHINE ATTACHED INDIRECTLY OR DIRECTLY TO SOLID SUPPORT VIA A COVALENT BONDS, AND REPLACING R1 OR R2 GROUPS E. I. DU PONT DE NEMOURS AND COMPANY 2004-04-06 US disclosed
EP-1274744-A2 POLYMER-SUPPORTED SYNTHESIS OF HETEROATOM BIDENTATE LIGANDS FOR CATALYSIS E.I. DUPONT DE NEMOURS AND COMPANY, Legal Patent Records Center (US) 2003-01-15 EP disclosed
US-20020077479-A1 Polymer-supported synthesis of heteroatom bidentate ligands for catalysis E. I. DU PONT DE NEMOURS AND COMPANY 2002-06-20 US disclosed
WO-2001079213-A2 POLYMER-SUPPORTED SYNTHESIS OF HETEROATOM BIDENTATE LIGANDS FOR CATALYSIS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-10-25 WO 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-20020077479-A1 Polymer-supported synthesis of heteroatom bidentate ligands for catalysis PARG, PCNA, PARN FFAR1 4323/4885L3MBTL1 4304/4885GAA 2136/4885

“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.