SCHEMBL21136608

SCHEMBL21136608

O=C(OC(F)(CC1CCCCC1)S(=O)(=O)O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
EPHX1 P07099 1/20 0.33
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 2/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
FKBP1A P62942 1/20 0.30
ELANE P08246 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
SCHEMBL21135713 0.83 MMP1 (0.34) ALDH1A1MMP1MMP9MMP13ADAM17
SCHEMBL21135767 0.83 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2CES2CES1
SCHEMBL21135731 0.81 MMP1 (0.33) MMP1MMP9MMP13ADAM17SMN1; SMN2
SCHEMBL21136602 0.81 ALDH1A1 (0.35) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21136611 0.81 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL21136001 0.79 MMP1 (0.32) MMP1MMP9MMP13ADAM17
SCHEMBL21136378 0.78 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL21136607 0.78 EPHX2 (0.36) ALDH1A1SMN1; SMN2POLB
SCHEMBL21136603 0.76 CES2 (0.33) HTTKMT2ASMN1; SMN2TDP1CES2
SCHEMBL25889183 0.74 CES2 (0.34) ALDH1A1HTTKMT2ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190196326-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-06-27 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-20190196326-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE RER1, ACTR5, RAD51 ALDH1A1 1556/4885EPHX1 139/4885MMP1 3169/4885

“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.