SCHEMBL20913027

SCHEMBL20913027

CCOC(=O)C(=O)C(Sc1ccc(C)cc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 3/20 0.41
RECQL P46063 1/20 0.41
DHODH Q02127 1/20 0.41
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KYAT1 Q16773 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL6420104 0.78 MAPT (0.46) GAAMAPTALDH1A1POLBKMT2A
SCHEMBL15083665 0.77 HPGD (0.55) HTTGAASMN1; SMN2MAPTALDH1A1
SCHEMBL4651705 0.77 MAPT (0.45) HTTGAASMN1; SMN2MAPTALDH1A1
SCHEMBL9788432 0.76 ALDH1A1 (0.44) HTTGAASMN1; SMN2MAPTALDH1A1
SCHEMBL19717928 0.76 KMT2A (0.45) HTTGAASMN1; SMN2MAPTALDH1A1
SCHEMBL8329718 0.75 PIN1 (0.50) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL6417371 0.72 GAA (0.47) HTTGAAMAPTALDH1A1POLB
SCHEMBL5847126 0.72 NPSR1 (0.47) HTTGAASMN1; SMN2MAPTALDH1A1
SCHEMBL8603804 0.72 NPSR1 (0.47) HTTGAASMN1; SMN2MAPTALDH1A1
SCHEMBL7376137 0.70 ALDH1A1 (0.44) HTTGAAMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Ivan Aleksandrovich Starikov 2019-04-25 US disclosed
US-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Ivan Aleksandrovich Starikov 2019-04-25 US disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 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 (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-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF OGDH, GOT1, OAT HTT 4484/4885GAA 480/4885SMN1; SMN2 4463/4885

“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.