SCHEMBL10308490

SCHEMBL10308490

CC(=O)OCCP(C)(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
TSHR P16473 1/20 0.44
GALR3 O60755 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL10409229 0.83 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL4893786 0.80 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL2576152 0.79 ALDH1A1 (0.41) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL11789811 0.78 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
Hydrochloric Acid SCHEMBL11789817 0.78 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL4425287 0.78 LMNA (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9847009 0.78 THRB (0.52) ALDH1A1TSHRHTT
SCHEMBL13357700 0.78 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL2466611 0.76 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL10409275 0.76 ALDH1A1 (0.47) ALDH1A1CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111918881-B Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2022-08-12 CN disclosed
US-9024014-B2 Phosphorus-containing compounds and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-9024014-B2 Phosphorus-containing compounds and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20120178714-A1 Phosphorus-containing Compounds & Uses Thereof ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-8058426-B2 Phosphorus-containing compounds and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20100197907-A1 Phosphorus-containing compounds & uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-7709020-B2 Rapamaycin derivatives used as fungicides, anticarcinogenic agents, immunosuppressants or as coatings on drug eluting stents to prevent restenosis ARIAD PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20070190106-A1 Phosphorus-containing compounds & uses thereof MEDINOL LTD. (IL) 2007-08-16 US disclosed
US-7186826-B2 Phosphorus-containing compounds and uses thereof ARIAD GENE THERAPEUTICS, INC. (US) 2007-03-06 US disclosed
US-4056571-A Process for the preparation of tertiary phosphine oxides HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 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 (3 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-20100197907-A1 Phosphorus-containing compounds & uses thereof NR5A2, NR2E3, VDR ALDH1A1 4692/4885CHRM5 25/4885CHRM1 394/4885
US-20070190106-A1 Phosphorus-containing compounds & uses thereof NR5A2, NR2E3, VDR ALDH1A1 4692/4885CHRM5 25/4885CHRM1 394/4885
US-20120178714-A1 Phosphorus-containing Compounds & Uses Thereof ALPP, ALPI, PHOSPHO1 ALDH1A1 2663/4885CHRM5 4298/4885CHRM1 4557/4885

“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.