SCHEMBL3330677

SCHEMBL3330677

CC(C)(C)C(=O)OCn1ccc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAPK1 P28482 4/20 0.48
LMNA P02545 1/20 0.48
CDK4 P11802 4/20 0.47
CCND1 P24385 4/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
NOTUM Q6P988 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL27467119 0.83 KMT2A (0.56) KMT2AMAPK1LMNACDK4CCND1
SCHEMBL27624745 0.77 KMT2A (0.57) KMT2AMAPK1LMNACDK4CCND1
SCHEMBL7428564 0.76 NPC1 (0.39) KMT2ANPC1ALDH1A1NOTUM
SCHEMBL10165541 0.74 LMNA (0.65) KMT2AMAPK1LMNACDK4CCND1
SCHEMBL6232320 0.74 NPC1 (0.39) KMT2AMAPK1CYP1A2CYP2C19MEN1
SCHEMBL6469417 0.73 CDK4 (0.61) KMT2AMAPK1LMNACDK4CCND1
SCHEMBL30057745 0.73 CDK4 (0.61) KMT2AMAPK1LMNACDK4CCND1
SCHEMBL27962646 0.73 NOTUM (0.46) KMT2AMAPK1LMNACDK4CCND1
SCHEMBL3597779 0.73 KMT2A (0.59) KMT2AMAPK1LMNACDK4CCND1
SCHEMBL30229742 0.73 KMT2A (0.59) KMT2AMAPK1LMNACDK4CCND1

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-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
EP-2121601-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2009-11-25 EP disclosed
WO-2008110690-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS UNIVERSITE JOSEPH FOURIER (FR) 2008-09-18 WO 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-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 KMT2A 3860/4885MAPK1 1086/4885LMNA 2136/4885

“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.