SCHEMBL2991056

SCHEMBL2991056

C=CCNC(=O)CCCP(=O)(OCC)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 1/20 0.56
FAAH O00519 1/20 0.55
HPGD P15428 3/20 0.45
HTT P42858 1/20 0.45
PPARD Q03181 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
TRPV1 Q8NER1 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ENPP2 Q13822 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL12446659 0.81 FAAH (0.45) SMN1; SMN2TSHRMAPTFAAHHPGD
SCHEMBL2984309 0.78 AOX1 (0.50) SMN1; SMN2TSHRMAPTFAAHHPGD
SCHEMBL170747 0.75 FAAH (0.85) SMN1; SMN2TSHRMAPTFAAHHPGD
SCHEMBL2991058 0.74 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPTFAAHHPGD
SCHEMBL6687715 0.74 TSHR (1.00) SMN1; SMN2TSHRMAPTFAAHHPGD
SCHEMBL3147522 0.74 PPARD (0.48) SMN1; SMN2TSHRPPARDTDP1CA12
SCHEMBL3172785 0.73 FAAH (0.96) SMN1; SMN2TSHRMAPTFAAHHPGD
SCHEMBL14338705 0.73 PPARD (0.44) TSHRPPARDTDP1CA12CA1
SCHEMBL26092952 0.72 TSHR (0.95) SMN1; SMN2TSHRMAPTFAAHHPGD
SCHEMBL25702503 0.72 TSHR (0.95) SMN1; SMN2TSHRMAPTFAAHHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142515-A1 Carboxylic acid derivatives containing phosphorous groups and organically polymerisable groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2006-06-29 US claimed
EP-1537130-A1 CARBOXYLIC ACID DERIVATIVES CONTAINING PHOSPHOROUS GROUPS AND ORGANICALLY POLYMERISABLE GROUPS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2005-06-08 EP claimed
WO-2004026884-A1 CARBOXYLIC ACID DERIVATIVES CONTAINING PHOSPHOROUS GROUPS AND ORGANICALLY POLYMERISABLE GROUPS FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2004-04-01 WO claimed
US-7777080-B2 Carboxylic acid derivatives containing phosphorous groups and organically polymerizable groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2010-08-17 US disclosed
US-20060142515-A1 Carboxylic acid derivatives containing phosphorous groups and organically polymerisable groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2006-06-29 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-20060142515-A1 Carboxylic acid derivatives containing phosphorous groups and organically polymerisable groups CA6, PGD, PHGDH SMN1; SMN2 4809/4885TSHR 4722/4885MAPT 1655/4885

“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.