SCHEMBL6861002

SCHEMBL6861002

C=C(C)C(=O)OCCCCOP(=O)(OCCCCOC(=O)C(=C)C)OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BTN3A1 O00481 1/20 0.40
LPAR3 Q9UBY5 7/20 0.37
LPAR2 Q9HBW0 6/20 0.37
LPAR1 Q92633 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.33

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
SCHEMBL23002887 0.98 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5746182 0.98 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5744786 0.98 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15302389 0.98 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15709964 0.97 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL345559 0.90 THRB (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL40719 0.88 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3447223 0.87 BTN3A1 (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL180279 0.86 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5958661 0.86 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992538-B2 Polymerizable dental composition based on condensed silanes VOCO GMBH (DE) 2024-05-28 US disclosed
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2021-02-25 US disclosed
US-8932060-B2 Dental treatment method KURARAY NORITAKE DENTAL INC. (JP) 2015-01-13 US disclosed
US-20130266915-A1 DENTAL TREATMENT METHOD KURARAY NORITAKE DENTAL INC. (JP) 2013-10-10 US disclosed
US-6790877-B2 Bonding compositions for dental use KURARAY CO., LTD. (JP) 2004-09-14 US disclosed
US-20020035169-A1 Bonding compositions for dental use KURARAY CO., LTD (JP) 2002-03-21 US disclosed
US-6355704-B1 BACTERICIDE PRIMERS; BONDING TO TEETH KURARAY CO., LTD. (JP) 2002-03-12 US disclosed
EP-0980682-A1 Bonding compositions for dental use KURARAY CO., LTD. (JP) 2000-02-23 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 (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-20020035169-A1 Bonding compositions for dental use PTK2, DEK, POLK TSHR 4726/4885THRB 3603/4885POLB 39/4885
US-11992538-B2 Polymerizable dental composition based on condensed silanes NCAPH, RCC1, NCAPD2 TSHR 4596/4885THRB 4522/4885POLB 567/4885
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 TSHR 4596/4885THRB 4522/4885POLB 567/4885

“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.