SCHEMBL10000877

SCHEMBL10000877

C=C(C)C(=O)OCCCCC(C)C(=O)OCCOC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.44
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL2522937 0.91 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15064928 0.89 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2529508 0.84 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5052712 0.81 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15064565 0.80 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL197726 0.80 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27357 0.80 THRB (0.63) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13046360 0.80 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12793081 0.79 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL382201 0.79 TSHR (0.61) 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-8900297-B2 Ophthalmic and otorhinolaryngological device materials NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140213733-A1 Ophthalmic and Otorhinolaryngological Device Materials NOVARTIS AG (CH) 2014-07-31 US disclosed
US-8728157-B2 Ophthalmic and otorhinolaryngological device materials NOVARTIS AG (CH) 2014-05-20 US disclosed
US-8163862-B2 Ophthalmic and otorhinolaryngological device materials NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20110319992-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS NOVARTIS AG (CH) 2011-12-29 US disclosed
US-8048154-B2 Ophthalmic and otorhinolaryngological device materials NOVARTIS AG (CH) 2011-11-01 US disclosed
US-20110257291-A1 Ophthalmic and Otorhinolaryngological Device Materials NOVARTIS AG (CH) 2011-10-20 US disclosed
US-20090093604-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON, INC. (CH) 2009-04-09 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-20110257291-A1 Ophthalmic and Otorhinolaryngological Device Materials MYOC, MMS19, MSH2 TSHR 1510/4885THRB 2951/4885POLB 1948/4885

“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.