SCHEMBL2996070

SCHEMBL2996070

C=C(C)C(=O)OC(CCCCCCCCCOP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.46
LPAR3 Q9UBY5 10/20 0.42
LPAR2 Q9HBW0 6/20 0.42
LPAR1 Q92633 6/20 0.42
TSHR P16473 2/20 0.36
LPAR5 Q9H1C0 1/20 0.32

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
SCHEMBL10336288 0.93 LPAR3 (0.46) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL9638935 0.87 LPAR3 (0.41) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL21051159 0.86 SMPD1 (0.66) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL21051151 0.86 SMPD1 (0.66) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL36372 0.86 SMPD1 (0.66) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL180090 0.84 SMPD1 (0.63) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL6786901 0.82 SMPD1 (0.56) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL19409698 0.81 TSHR (0.54) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL28634001 0.81 LPAR3 (0.46) SMPD1LPAR3LPAR2LPAR1TSHR
SCHEMBL3975681 0.81 LPAR3 (0.35) LPAR3LPAR2LPAR1TSHR

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-20130071804-A1 Adhesive for Teeth-Straightening Members TOKUYAMA DENTAL CORPORATION (JP) 2013-03-21 US disclosed
US-20100184882-A1 ADHESIVE FOR TEETH-STRAIGHTENING MEMBERS NIHON UNIVERSITY (JP) 2010-07-22 US disclosed
EP-2149360-A1 ADHESIVE FOR TEETH-STRAIGHTENING MEMBERS Nihon University (JP) 2010-02-03 EP 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-20100184882-A1 ADHESIVE FOR TEETH-STRAIGHTENING MEMBERS ICAM1, TLN1, COIL SMPD1 4336/4885LPAR3 2152/4885LPAR2 3769/4885

“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.