SCHEMBL14701499

SCHEMBL14701499

O=C(OCC(O)COC(=O)C(F)(F)S(=O)(=O)O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.32
MDM2 Q00987 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL12977194 0.83 ALDH1A1 (0.36) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL14700426 0.82 ADRB2 (0.59) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL18468862 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL14701503 0.78 PKM (0.42) ADRB2ADRB1ADRB3
SCHEMBL24212933 0.77 ADRB2 (0.52) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL18235972 0.76 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL14701502 0.76 POLB (0.34)
SCHEMBL10225090 0.75 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2A
SCHEMBL10344213 0.74 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL16543422 0.74 ADRB2 (0.57) ADRB2ADRB1ADRB3ALDH1A1TSHR

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-8802352-B2 Salt, photoresist composition and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-12 US disclosed
US-20130040239-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-14 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-20130040239-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN CRY1, H1-0, SPIN1 ADRB2 2449/4885ADRB1 1926/4885ADRB3 2738/4885

“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.