SCHEMBL493369

SCHEMBL493369

CC(Cl)C(=O)O.O=C(OC(=O)c1c(Cl)cc(Cl)cc1Cl)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TSHR P16473 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PPARA Q07869 1/20 0.34
GRN P28799 1/20 0.33

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
SCHEMBL493372 0.89 MAPT (0.39) KMT2ALMNAMAPTNPSR1HTT
SCHEMBL493370 0.86 KMT2A (0.45) KMT2ALMNAMAPTNPSR1HTT
SCHEMBL432792 0.84 KMT2A (0.52) KMT2ALMNAMAPTNPSR1HTT
Chloroacetic Acid SCHEMBL494452 0.78 LMNA (0.44) KMT2ALMNAMAPTNPSR1HTT
SCHEMBL432793 0.75 LMNA (0.45) KMT2ALMNAMAPTNPSR1HTT
SCHEMBL21952688 0.75 KMT2A (0.42) KMT2ALMNAMAPTNPSR1HPGD
SCHEMBL5542753 0.72 KMT2A (0.53) KMT2ALMNAMAPTHTTHPGD
SCHEMBL11430439 0.72 KMT2A (0.52) KMT2ALMNAMAPTNPSR1HTT
SCHEMBL493850 0.71 MAPT (0.45) KMT2ALMNAMAPTNPSR1HTT
SCHEMBL494453 0.70 LMNA (0.44) KMT2ALMNAMAPTNPSR1HTT

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-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-8486606-B2 Acrylate derivative, haloester derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-07-16 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-8105746-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2012-01-31 US disclosed
US-20110117497-A1 ACRYLATE DERIVATIVE, HALOESTER DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2011-05-19 US disclosed
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-01-29 US disclosed
EP-1992651-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION Kuraray Co., Ltd. (JP) 2008-11-19 EP 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-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 KMT2A 1840/4885LMNA 3254/4885MAPT 412/4885
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 KMT2A 3292/4885LMNA 2303/4885MAPT 291/4885
US-20110117497-A1 ACRYLATE DERIVATIVE, HALOESTER DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ARCN1, H1-10, RER1 KMT2A 3627/4885LMNA 3253/4885MAPT 1462/4885

“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.