Sugi Predict

Sugi Predict / Compounds / SCHEMBL821226

SCHEMBL821226

SCHEMBL821226

C[C@@H]1C=C[C@H](C)[C@@H]2C(=O)OC(=O)[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ PPM1B O75688 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PPP1CC P36873 1/20 0.39
▸ TFPI2 P48307 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PPP5C P53041 1/20 0.39
▸ PPP1CA P62136 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ POLB P06746 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL6520813 1.00 TDP1 (0.39) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL15672321 1.00 TDP1 (0.39) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL19604953 0.87 KDM4E (0.31) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL13694674 0.83 — —
SCHEMBL21689115 0.83 — —
SCHEMBL19067982 0.79 ALDH1A1 (0.36) —
SCHEMBL597567 0.77 KDM4E (0.31) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL4352284 0.74 KMT2A (0.41) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL1739727 0.74 KMT2A (0.41) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL1473414 0.74 KMT2A (0.41) TDP1KDM4EGMNNPPM1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 — — US disclosed
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 — — US disclosed
US-8367858-B2 Terephthalic and trimellitic based acids and carboxylate derivatives thereof Amyris, Inc. (US) 2013-02-05 — — US disclosed
US-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2011-11-24 — — US disclosed
US-20110288263-A1 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2011-11-24 — — US disclosed
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2011-11-24 — — US disclosed
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES DRATHS CORPORATION (US) 2011-11-17 — — 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 (3 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-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES CNR2, CBR1, CCR4 TDP1 2258/4885KDM4E 116/4885GMNN 1109/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 TDP1 2649/4885KDM4E 102/4885GMNN 905/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM TDP1 1287/4885KDM4E 739/4885GMNN 1166/4885

“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.