SCHEMBL9947140

SCHEMBL9947140

C1CCC2CC(OCC3CO3)CC2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL12292918 0.86 TSHR (0.39) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL7876608 0.82 TSHR (0.46) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL7079859 0.82 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL17085515 0.82 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL19838618 0.80 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL28660114 0.80 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL3237384 0.80 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL472962 0.80 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL23188208 0.78 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL21450961 0.78 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120282548-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2012-11-08 US disclosed
US-20120148957-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2012-06-14 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-20120282548-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM RAD51, RER1, RXRA TSHR 2059/4885TP53 1856/4885CYP3A4 4039/4885

“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.