SCHEMBL13399059

SCHEMBL13399059

CCC(CO)(COCC1CC1)COCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.33
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
SCHEMBL123922 0.92 TSHR (0.55) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL9907091 0.90 TSHR (0.53) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL16576778 0.90 TSHR (0.53) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL329256 0.89 TSHR (0.55) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL27474024 0.86 TSHR (0.49) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12808627 0.85 SMN1; SMN2 (0.47) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL9914884 0.83
SCHEMBL21516451 0.83 SMN1; SMN2 (0.49) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12158351 0.83 TSHR (0.55) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL26661587 0.83 SMN1; SMN2 (0.51) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2018-08-02 US disclosed
US-9921477-B2 Photoactivable nitrogen bases BASE SE (DE) 2018-03-20 US disclosed
US-20100105794-A1 PHOTOACTIVABLE NITROGEN BASES CIBA CORPORATION (US) 2010-04-29 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-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES CBR1, NR0B1, NR0B2 TSHR 801/4885MAPK1 1258/4885SMN1; SMN2 3651/4885

“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.