SCHEMBL4461275

SCHEMBL4461275

COP(=O)(CCC=O)OC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BTN3A1 O00481 1/20 0.34
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL28462619 0.86 BTN3A1 (0.34) AOX1BTN3A1
SCHEMBL4453587 0.85 HIF1A (0.41) AOX1ALDH1A1TSHRHIF1A
SCHEMBL28593773 0.84 AOX1 (0.46) AOX1ALDH1A1BTN3A1TSHRTDP1
SCHEMBL5574774 0.81 TSHR (0.44) ALDH1A1TSHRHIF1A
SCHEMBL28593776 0.81 AOX1 (0.40) AOX1ALDH1A1
SCHEMBL23114194 0.77 TSHR (0.33) ALDH1A1BTN3A1TSHR
SCHEMBL3623160 0.77
SCHEMBL4693695 0.76 FAAH (0.35) TSHR
SCHEMBL2382808 0.75 PPARD (0.54) AOX1ALDH1A1BTN3A1TSHRTDP1
SCHEMBL14245213 0.75 BTN3A1 (0.33) ALDH1A1BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed
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
US-4190650-A Phosphonyl vinyl phosphorus compounds as pesticides BASF AKTIENGESELLSCHAFT (DE) 1980-02-26 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 AOX1 3367/4885ALDH1A1 780/4885BTN3A1 4324/4885
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 AOX1 3808/4885ALDH1A1 599/4885BTN3A1 2886/4885

“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.