SCHEMBL2991058

SCHEMBL2991058

C=CCNC(=O)CCCP(=O)(O)OC(C)CC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
FAAH O00519 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
TRPV1 Q8NER1 1/20 0.34
LPAR1 Q92633 2/20 0.33
ENPP2 Q13822 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 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
SCHEMBL2957702 0.78 LPAR3 (0.39) SMN1; SMN2TSHRMAPTHPGDALDH1A1
SCHEMBL2955744 0.76 LPAR3 (0.44) SMN1; SMN2TSHRMAPTHPGDALDH1A1
SCHEMBL2991056 0.74 SMN1; SMN2 (0.56) SMN1; SMN2TSHRFAAHMAPTHPGD
SCHEMBL779433 0.72 TRPM8 (0.45) LPAR2
SCHEMBL776771 0.71 LAP3 (0.34)
SCHEMBL4158403 0.71 PPARD (0.39) ALDH1A1
SCHEMBL11699853 0.71 KDM4E (0.42) TSHRLPAR1
SCHEMBL787332 0.71 MEN1 (0.41) TSHRALDH1A1
SCHEMBL170747 0.70 FAAH (0.85) SMN1; SMN2TSHRFAAHMAPTHPGD
SCHEMBL2382268 0.70 TSHR (0.34) TSHRMAPT

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-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
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 4722/4885FAAH 1236/4885

“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.