SCHEMBL6059684

SCHEMBL6059684

CCCCCCC(=O)C1(C(=O)OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
HSP90AA1 P07900 1/20 0.41
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
NAAA Q02083 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6059711 1.00 TSHR (0.44) TSHRALDH1A1CES2CES1HSP90AA1
SCHEMBL6060343 0.98 TSHR (0.41) TSHRALDH1A1CES2CES1HSP90AA1
SCHEMBL6059827 0.93 ALDH1A1 (0.40) TSHRALDH1A1CES2CES1
SCHEMBL6059836 0.85 TSHR (0.36) TSHRALDH1A1CES2CES1
SCHEMBL22033617 0.84 FAAH (0.45) TSHRALDH1A1CES2CES1GPR84
SCHEMBL22033701 0.80 LMNA (0.41) TSHRALDH1A1CES2CES1GPR84
SCHEMBL22033474 0.79 GPR84 (0.50) TSHRALDH1A1CES2CES1GPR84
SCHEMBL3176238 0.77 CES2 (0.44) TSHRALDH1A1CES2CES1GPR84
SCHEMBL7233038 0.77 CES2 (0.48) TSHRALDH1A1CES2CES1GPR84
SCHEMBL15125183 0.77 NPSR1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071344-B1 Vitamin D derivatives with cyclopropyl rings in the lateral chains, a method and intermediate products for the production thereof and the utilization thereof for producing medicaments SCHERING AG (DE) 2006-07-04 US disclosed
US-20050227951-A1 Verification of translation STEINMEYER ANDREAS 2005-10-13 US disclosed
US-20030018194-A1 New Vitamin D derivatives with cyclopropyl rings in the side chains, process and intermediate products for their production and their use for the production of pharmaceutical agents STEINMEYER ANDREAS (DE) 2003-01-23 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 (2 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-20050227951-A1 Verification of translation CYP2R1, CYP24A1, VDR TSHR 1332/4885ALDH1A1 780/4885CES2 3759/4885
US-20030018194-A1 New Vitamin D derivatives with cyclopropyl rings in the side chains, process and intermediate products for their production and their use for the production of pharmaceutical agents CYP2R1, CYP24A1, VDR TSHR 1101/4885ALDH1A1 599/4885CES2 3636/4885

“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.