SCHEMBL1989028

SCHEMBL1989028

CCOCCOc1cccc(C(=O)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ TAAR1 Q96RJ0 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPT P10636 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SMPD1 P17405 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYSLTR1 Q9Y271 1/20 0.50

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
SCHEMBL12518955 0.87 MAPT (0.54) KMT2AMEN1TAAR1ALDH1A1MAPT
SCHEMBL385706 0.86 RAB9A (0.59) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL2340354 0.86 KMT2A (0.71) KMT2AALDH1A1MAPTRAB9ALMNA
SCHEMBL31442462 0.86 SMN1; SMN2 (0.58) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL644216 0.86 SMN1; SMN2 (0.58) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL31536904 0.85 SMPD1 (0.63) KMT2AALDH1A1MAPTRAB9AMAPK1
SCHEMBL6811204 0.85 SMPD1 (0.63) KMT2AALDH1A1MAPTRAB9AMAPK1
SCHEMBL15122761 0.85 KMT2A (0.74) KMT2AMEN1TAAR1ALDH1A1LMNA
SCHEMBL31286940 0.85 RAB9A (0.55) KMT2AMEN1TAAR1ALDH1A1MAPT
SCHEMBL1989863 0.84 MAPT (0.54) KMT2AMEN1TAAR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860975-A1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE Global Blood Therapeutics, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072377-A1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-04-09 — — WO disclosed
US-20130022976-A1 HYPERTHERMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE ELITECH HOLDING B.V. 2013-01-24 — — US disclosed
WO-2011087707-A1 HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE ELITECH HOLDING B.V. (NL) 2011-07-21 — — WO disclosed
US-20110151457-A1 HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE ELITECH HOLDING B.V. 2011-06-23 — — 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-20110151457-A1 HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE DNASE1, FEN1, UNG KMT2A 3931/4885MEN1 3421/4885TAAR1 3033/4885

“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.

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