Sugi Predict

Sugi Predict / Compounds / SCHEMBL6369015

SCHEMBL6369015

SCHEMBL6369015

CCCCCCCCCCCC([O])OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ CTSK P43235 1/20 0.48
▸ CES2 O00748 3/20 0.47
▸ CES1 P23141 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ PRSS1 P07477 3/20 0.47
▸ CTSG P08311 2/20 0.47
▸ CTRB1 P17538 2/20 0.47
▸ CMA1 P23946 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ NAAA Q02083 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ ZDHHC20 Q5W0Z9 1/20 0.46
▸ ZDHHC2 Q9UIJ5 1/20 0.46

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
SCHEMBL7296124 0.87 LMNA (0.53) ALDH1A1LMNAPRSS1CTSGCTRB1
SCHEMBL29669582 0.86 ALDH1A1 (0.54) ALDH1A1CTSKCES2CES1LMNA
SCHEMBL28452193 0.86 MEN1 (0.54) ALDH1A1CTSKCES2CES1LMNA
SCHEMBL16423824 0.86 MEN1 (0.54) ALDH1A1CTSKCES2CES1LMNA
SCHEMBL245922 0.86 MEN1 (0.54) ALDH1A1CTSKCES2CES1LMNA
SCHEMBL1331116 0.86 MEN1 (0.54) ALDH1A1CTSKCES2CES1LMNA
SCHEMBL29608632 0.86 ALDH1A1 (0.54) ALDH1A1CTSKCES2CES1LMNA
SCHEMBL1769317 0.86 MEN1 (0.54) ALDH1A1CTSKCES2CES1LMNA
SCHEMBL28890372 0.86 MEN1 (0.54) ALDH1A1CTSKCES2CES1LMNA
SCHEMBL298095 0.86 MEN1 (0.54) ALDH1A1CTSKCES2CES1LMNA

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-6902687-B2 OPTICALLY ACTIVE ISOSORBIDE DERIVATIVE AND OPTICALLY ACTIVE ISOMANNIDE DERIVATIVE, PRODUCTION METHODS THEREOF, PHOTO-REACTIVE CHIRAL AGENT, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COLOR FILTER, OPTICAL FILM AND RECORDING MEDIUM, METHOD FOR CHANGING HELICAL STRUCTURE OF LIQUID CRYSTAL AND METHOD FOR FIXING HELICAL STRUCTURE OF LIQUID CRYSTAL FUJI PHOTO FILM CO., LTD. (JP) 2005-06-07 — — US disclosed
US-20040019228-A1 Optically active isosorbide derivative and optically active isomannide derivative, production methods thereof, photo-reactive chiral agent, liquid crystal composition, liquid crystal color filter, optical film and recording medium, method for changing helical structure of liquid crystal and method for fixing helical structure of liquid crystal FUJI PHOTO FILM CO., LTD. 2004-01-29 — — 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-20040019228-A1 Optically active isosorbide derivative and optically active isomannide derivative, production methods thereof, photo-reactive chiral agent, liquid crystal composition, liquid crystal color filter, optical film and recording medium, method for changing helical structure of liquid crystal and method for fixing helical structure of liquid crystal IK, RPL21, PDE6D ALDH1A1 1676/4885CTSK 3969/4885CES2 4054/4885

“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.