SCHEMBL3191817

SCHEMBL3191817

C=CCCCOC1CCCCC1OCCCC=C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
OPRM1 P35372 3/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
OPRK1 P41145 2/20 0.30
OPRD1 P41143 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3179718 0.94 SLC2A1 (0.38) SLC2A1ALDH1A1TSHROPRM1CHRNB2
SCHEMBL3179145 0.92 SLC2A1 (0.41) SLC2A1ALDH1A1TSHROPRM1LPAR3
SCHEMBL28455816 0.86 CA2 (0.32) OPRM1
SCHEMBL4036898 0.83 NPC1 (0.41) SLC2A1ALDH1A1TSHRCHRNB2CHRNA7
SCHEMBL28450378 0.82 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL28450375 0.82 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL3933992 0.81 NPC1 (0.44) SLC2A1ALDH1A1TSHRCHRNB2CHRNA7
SCHEMBL3946956 0.81 NPC1 (0.44) SLC2A1ALDH1A1TSHRCHRNB2CHRNA7
SCHEMBL3943932 0.79
SCHEMBL3943006 0.78 NPC1 (0.36) SLC2A1ALDH1A1TSHRLPAR3LPAR2

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-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof WONKISOPHARM CO., LTD. (KR) 2010-01-28 US claimed
CN-106309421-B Pharmaceutical composition and cosmetic composition 沃凯索法株式会社 2020-08-25 CN disclosed
US-8420853-B2 Derivatives of cyclic compound and the use thereof Wonkisopharm Co., Ltd (KR) 2013-04-16 US disclosed
US-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof WONKISOPHARM CO., LTD. (KR) 2010-01-28 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-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof TYR, MC1R, PDE7A SLC2A1 3555/4885ALDH1A1 2889/4885TSHR 1253/4885

“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.